
data_-253.020_guan_phenan_19_365669 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 14.3064
_cell_length_b 9.5542
_cell_length_c 11.2928
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.889732950     0.514754090     0.534652660 
N2 N     0.970458330     0.265289990     0.603716740 
C1 C     0.851939810     0.634678200     0.501913560 
C2 C     0.899898260     0.763372210     0.501311360 
C3 C     0.991858900     0.764883850     0.536939210 
C4 C     1.130345310     0.633676000     0.610745280 
C5 C     1.170025910     0.511041940     0.644755670 
C6 C     1.157031920     0.254388360     0.678362470 
C7 C     1.103185820     0.135127570     0.675258110 
C8 C     1.009839900     0.146721750     0.636982800 
C9 C     1.022538180     0.383083520     0.606329990 
C10 C     0.979911060     0.514815130     0.569869380 
C11 C     1.034843150     0.638906790     0.572652110 
C12 C     1.117566630     0.383243320     0.643491220 
H1 H     0.779203360     0.630389840     0.474161120 
H2 H     0.864548830     0.858061090     0.473329550 
H3 H     1.031888710     0.861369990     0.537999310 
H4 H     1.170373340     0.730140990     0.611880480 
H5 H     1.242348190     0.507668600     0.673541380 
H6 H     1.229367220     0.250957240     0.707175540 
H7 H     1.131106290     0.034319600     0.701365960 
H8 H     0.965659340     0.054166410     0.633667780 
N3 N     0.956157630     0.525731390     0.216826520 
N4 N     1.092160630     0.641439010     0.277002740 
N5 N     0.965977140     0.773355720     0.212082230 
N6 N     0.743427920     0.688227200     0.098515560 
N7 N     0.826138700     0.883301830     0.131921240 
C13 C     1.001709700     0.651259450     0.235361010 
C14 C     0.878084130     0.769177260     0.165060670 
C15 C     0.827922190     0.646427390     0.145199480 
C16 C     0.864608640     0.510688460     0.169941120 
C17 C     0.746801120     0.830648270     0.092901940 
H9 H     0.990118580     0.434303480     0.230571140 
H10 H     1.105719690     0.565001570     0.336311100 
H11 H     1.118252060     0.735760390     0.300236230 
H12 H     0.690674940     0.624593340     0.073981580 
H13 H     0.688975190     0.891498820     0.059346650 
O1 O     0.829385150     0.395691990     0.155638280 

#END
data_-252.279_guan_phenan_14_364233 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 7.0345
_cell_length_b 23.734
_cell_length_c 9.5757
_cell_angle_alpha 90.0
_cell_angle_beta 107.2555
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.743634890     0.985133480     0.591113290 
N2 N     0.662638600     0.944906870     0.308958870 
C1 C     0.782285110     1.003833310     0.726471180 
C2 C     0.808220690     0.968776430     0.849345250 
C3 C     0.792511770     0.911447780     0.827685100 
C4 C     0.733019280     0.830485320     0.654994120 
C5 C     0.693103740     0.810706040     0.516267890 
C6 C     0.626601730     0.829131830     0.250260490 
C7 C     0.604208590     0.867474300     0.138768530 
C8 C     0.623889780     0.925151660     0.174579950 
C9 C     0.684986600     0.907725840     0.419366660 
C10 C     0.727742480     0.928966530     0.568357120 
C11 C     0.751268000     0.889755050     0.684649760 
C12 C     0.668158810     0.848527320     0.395462330 
H1 H     0.793944530     1.049306040     0.740372810 
H2 H     0.839676830     0.986970310     0.957606770 
H3 H     0.811368650     0.882635530     0.918806960 
H4 H     0.751751690     0.801667500     0.746066910 
H5 H     0.679397630     0.765795540     0.494416800 
H6 H     0.612855560     0.784214150     0.228340370 
H7 H     0.572249440     0.854142690     0.025926660 
H8 H     0.606886180     0.956395080     0.088648350 
N3 N     0.834354540     0.220148700     0.577589150 
N4 N     0.872916050     0.306007530     0.469229960 
N5 N     0.812548980     0.225283160     0.326073070 
N6 N     0.754855630     0.081680770     0.399426250 
N7 N     0.763253320     0.133708280     0.206213690 
C13 C     0.835927860     0.248917320     0.452591270 
C14 C     0.788259340     0.168188700     0.325262200 
C15 C     0.783290470     0.136709650     0.446920010 
C16 C     0.807713750     0.161126990     0.587303520 
C17 C     0.744082230     0.082761010     0.254960720 
H9 H     0.864817080     0.240734830     0.674218850 
H10 H     0.813501790     0.326816210     0.538267160 
H11 H     0.852024190     0.325582170     0.372167320 
H12 H     0.744582210     0.048009100     0.460928480 
H13 H     0.721859790     0.044866620     0.189691860 
O1 O     0.809283380     0.138806490     0.702348780 

#END
data_-252.260_guan_phenan_14_558408 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 15.7735
_cell_length_b 24.3123
_cell_length_c 7.7002
_cell_angle_alpha 90.0
_cell_angle_beta 148.3593
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.142251790     0.217221930     0.760118600 
N2 N     0.346848790     0.137110270     0.989479650 
C1 C     0.045513990     0.255905350     0.651847910 
C2 C     0.077093710     0.312655710     0.693499220 
C3 C     0.217244110     0.329057390     0.856911310 
C4 C     0.471756490     0.303452510     1.148835020 
C5 C     0.572390350     0.264067200     1.261746300 
C6 C     0.635994720     0.165111370     1.326507330 
C7 C     0.592352960     0.110901800     1.271157680 
C8 C     0.445687710     0.099206330     1.100423730 
C9 C     0.388242800     0.190463860     1.042119040 
C10 C     0.280213640     0.232767200     0.921028760 
C11 C     0.323927760     0.288984980     0.976612490 
C12 C     0.533659280     0.206878390     1.211828380 
H1 H    -0.064371160     0.241768620     0.523550840 
H2 H    -0.007696930     0.342249970     0.598235210 
H3 H     0.247073390     0.372309730     0.895190460 
H4 H     0.501663120     0.346693370     1.187316970 
H5 H     0.684174660     0.275243580     1.392040020 
H6 H     0.747831420     0.176267610     1.456881240 
H7 H     0.667873570     0.077718180     1.355550230 
H8 H     0.408187290     0.056722650     1.053277720 
N3 N     0.135279280     0.508286600    -0.427932970 
N4 N     0.387626750     0.465516410    -0.009719540 
N5 N     0.305512050     0.524240790    -0.373496400 
N6 N    -0.050677310     0.599937760    -1.073631850 
N7 N     0.183331670     0.584210340    -0.803001140 
C13 C     0.276352180     0.501255940    -0.275103920 
C14 C     0.182651050     0.556235580    -0.649510350 
C15 C     0.038103730     0.565473610    -0.813547460 
C16 C     0.001948620     0.541152520    -0.712522950 
C17 C     0.042707160     0.609564360    -1.053390560 
H9 H     0.116876240     0.486673280    -0.349535840 
H10 H     0.399359200     0.465842060     0.141258290 
H11 H     0.494122210     0.466398170     0.111950340 
H12 H    -0.162091410     0.614593110    -1.242255380 
H13 H     0.002108690     0.635628530    -1.229021010 
O1 O    -0.119083120     0.545010750    -0.834058220 

#END
data_-252.001_guan_phenan_2_306012 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 20.9119
_cell_length_b 17.3237
_cell_length_c 7.4925
_cell_angle_alpha 130.801
_cell_angle_beta 142.5947
_cell_angle_gamma 80.935
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.174795490     0.446553500     0.976818580 
N2 N    -0.111253880     0.317929150     0.295182750 
C1 C     0.312103300     0.509399380     1.305493140 
C2 C     0.446607860     0.667806190     1.766491440 
C3 C     0.434942600     0.763602580     1.883796050 
C4 C     0.270541340     0.794628840     1.642691370 
C5 C     0.129871170     0.731368650     1.307377900 
C6 C    -0.150502970     0.500324160     0.488518280 
C7 C    -0.273788910     0.343862740     0.049785910 
C8 C    -0.247396400     0.257816800    -0.027720690 
C9 C     0.010694500     0.471341060     0.727249770 
C10 C     0.161737470     0.539258890     1.087160560 
C11 C     0.290193450     0.700941410     1.542399480 
C12 C    -0.003016160     0.569085350     0.843585210 
H1 H     0.317961630     0.431022710     1.203178050 
H2 H     0.555807120     0.711758640     2.019200570 
H3 H     0.535260290     0.886585900     2.234693520 
H4 H     0.370774000     0.917560590     1.993251090 
H5 H     0.115612420     0.802803460     1.385066560 
H6 H    -0.164838750     0.571717400     0.565991710 
H7 H    -0.388726950     0.287040870    -0.231534460 
H8 H    -0.342751810     0.133920880    -0.371237600 
N3 N     0.850704540     0.870497490     1.134929590 
N4 N     0.650901600     0.586255890     0.275328280 
N5 N     0.661797410     0.711243520     0.720868910 
N6 N     0.924803140     1.122671970     2.021262690 
N7 N     0.710680370     0.876568560     1.308495880 
C13 C     0.718693670     0.723970380     0.712280860 
C14 C     0.745335910     0.857296560     1.195575060 
C15 C     0.878186610     1.008988690     1.633413420 
C16 C     0.943689880     1.027805520     1.637981520 
C17 C     0.820036350     1.035799440     1.802275680 
H9 H     0.894884230     0.872820090     1.122029120 
H10 H     0.641078890     0.578732530     0.107813740 
H11 H     0.544367250     0.481188950    -0.056681460 
H12 H     1.018039070     1.244948330     2.390327760 
H13 H     0.828839030     1.095136650     2.021887130 
O1 O     1.059549320     1.151899300     1.993933070 

#END
data_-251.376_guan_phenan_14_627064 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 13.9478
_cell_length_b 9.5814
_cell_length_c 24.2371
_cell_angle_alpha 90.0
_cell_angle_beta 28.7996
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     1.189921400     0.414855810     1.104355680 
N2 N     1.214451550     0.665553790     1.036235530 
C1 C     1.178729850     0.295666450     1.137117780 
C2 C     1.209687430     0.282465000     1.178726190 
C3 C     1.254384120     0.400744270     1.185893550 
C4 C     1.313931980     0.657044920     1.157045970 
C5 C     1.326088140     0.780294380     1.123504880 
C6 C     1.304736820     0.913759350     1.046403520 
C7 C     1.271493510     0.913809370     1.007154590 
C8 C     1.226676340     0.786031470     1.003892360 
C9 C     1.246713560     0.664069220     1.074940950 
C10 C     1.233775250     0.531688770     1.110904400 
C11 C     1.267800570     0.530213220     1.151681260 
C12 C     1.293037700     0.787144170     1.081812740 
H1 H     1.143132490     0.203916140     1.130565330 
H2 H     1.198204910     0.181221090     1.204177500 
H3 H     1.279444430     0.396109090     1.217454580 
H4 H     1.339109070     0.652435420     1.188536100 
H5 H     1.361101290     0.876003550     1.127718000 
H6 H     1.339775140     1.009522140     1.050588380 
H7 H     1.279178240     1.009031790     0.979255590 
H8 H     1.199760650     0.782976530     0.973233670 
N3 N     0.585081210     0.613470210     0.224519080 
N4 N     0.350466630     0.497318120     0.288315290 
N5 N     0.596785240     0.367798420     0.207479640 
N6 N     1.008855370     0.455403060     0.082938260 
N7 N     0.878925060     0.260969720     0.111943050 
C13 C     0.514529330     0.488379970     0.239649460 
C14 C     0.764532040     0.373282490     0.154618120 
C15 C     0.842476160     0.495588350     0.137650440 
C16 C     0.756152050     0.629650510     0.172048600 
C17 C     1.022283640     0.314271810     0.070158680 
H9 H     0.520332250     0.704253840     0.245701340 
H10 H     0.246194250     0.569013870     0.350727650 
H11 H     0.293776340     0.402363970     0.307917310 
H12 H     1.100295260     0.519205050     0.058055720 
H13 H     1.140546200     0.254823920     0.029431210 
O1 O     0.809478330     0.744211480     0.161343460 

#END
data_-250.498_guan_phenan_14_463610 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 24.0956
_cell_length_b 9.2131
_cell_length_c 23.2851
_cell_angle_alpha 90.0
_cell_angle_beta 17.2493
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.736634080     1.082912620     0.278881090 
N2 N     0.862094690     0.810861610     0.186363260 
C1 C     0.676891350     1.213415990     0.323422800 
C2 C     0.669423400     1.332224460     0.368771890 
C3 C     0.727848010     1.311701000     0.366745950 
C4 C     0.855263520     1.145561930     0.315454810 
C5 C     0.916864610     1.011792700     0.270059600 
C6 C     0.984453060     0.754935240     0.177563700 
C7 C     0.985349400     0.647088420     0.135807190 
C8 C     0.922319840     0.681290610     0.142426100 
C9 C     0.860529600     0.917658420     0.227605040 
C10 C     0.794268710     1.061312240     0.276472600 
C11 C     0.792659240     1.173801170     0.319922350 
C12 C     0.921158780     0.894958200     0.225193160 
H1 H     0.631640940     1.226537010     0.323851700 
H2 H     0.618706230     1.436579010     0.404117720 
H3 H     0.724948550     1.399839840     0.400522990 
H4 H     0.852282600     1.233640800     0.349327040 
H5 H     0.964067860     0.990988570     0.266927220 
H6 H     1.031665540     0.734062170     0.174429280 
H7 H     1.033000550     0.538263300     0.098597600 
H8 H     0.921452230     0.598152630     0.110124780 
N3 N     0.475775810     0.555712880     0.243105740 
N4 N     0.515208340     0.442361870     0.293187920 
N5 N     0.403673340     0.306523950     0.326787920 
N6 N     0.289292630     0.389540840     0.296162780 
N7 N     0.276600000     0.194648140     0.366065980 
C13 C     0.464391300     0.429968880     0.286441210 
C14 C     0.347652890     0.309891000     0.326098340 
C15 C     0.357097120     0.432511180     0.281878000 
C16 C     0.423379190     0.569609720     0.236319310 
C17 C     0.243767970     0.246571620     0.346769280 
H9 H     0.514268370     0.649915260     0.223995170 
H10 H     0.623910160     0.508456190     0.194922680 
H11 H     0.522477660     0.344730940     0.305613770 
H12 H     0.276927780     0.452824220     0.273276160 
H13 H     0.186675190     0.184771770     0.367898060 
O1 O     0.436791490     0.685049530     0.197772940 

#END
data_-248.392_guan_phenan_33_11573 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,1/2+z
3 1/2-x,1/2+y,1/2+z
4 1/2+x,1/2-y,+z
_cell_length_a 7.0247
_cell_length_b 23.9394
_cell_length_c 9.1921
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.877155170     0.760775950     0.230747540 
N2 N     0.984843810     0.806448100     0.493986500 
C1 C     0.825584540     0.739459130     0.104338060 
C2 C     0.795270310     0.771333580    -0.022298290 
C3 C     0.820784040     0.828237020    -0.014485110 
C4 C     0.904550100     0.911659280     0.133760080 
C5 C     0.957407350     0.934120190     0.263195710 
C6 C     1.041014430     0.921704390     0.524247300 
C7 C     1.066440190     0.886351270     0.640646260 
C8 C     1.036253780     0.828790710     0.619227700 
C9 C     0.959448460     0.840679500     0.378895960 
C10 C     0.902570740     0.816563940     0.239895000 
C11 C     0.875832230     0.852668070     0.118659420 
C12 C     0.986112340     0.899481440     0.388470290 
H1 H     0.806507540     0.694391510     0.101300540 
H2 H     0.752970890     0.751097990    -0.122660400 
H3 H     0.799311760     0.854640100    -0.109052500 
H4 H     0.882987770     0.938074010     0.039250550 
H5 H     0.978919130     0.978808190     0.274043760 
H6 H     1.062531440     0.966401910     0.535162550 
H7 H     1.108584040     0.901905800     0.746558290 
H8 H     1.055273370     0.799879460     0.709332080 
N3 N     0.977776030     0.530282450     0.275868670 
N4 N     1.056871620     0.446428440     0.391579020 
N5 N     1.055343880     0.528280830     0.526806270 
N6 N     0.972562930     0.669815340     0.440800980 
N7 N     1.055985500     0.620576760     0.637925470 
C13 C     1.028018090     0.503282320     0.402947470 
C14 C     1.032941660     0.584917920     0.522470650 
C15 C     0.980697350     0.614651910     0.398463840 
C16 C     0.948907730     0.588707670     0.260864470 
C17 C     1.018922230     0.670513210     0.584779220 
H9 H     0.969458240     0.508647710     0.181558910 
H10 H     0.969470740     0.425118950     0.324310090 
H11 H     1.073819460     0.428254030     0.489898800 
H12 H     0.938877090     0.702460010     0.376510390 
H13 H     1.023563790     0.708899320     0.646364740 
O1 O     0.905571340     0.609431560     0.144285060 

#END
data_-248.109_guan_phenan_2_411234 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 7.1652
_cell_length_b 15.8621
_cell_length_c 9.3566
_cell_angle_alpha 49.3832
_cell_angle_beta 74.0048
_cell_angle_gamma 79.1119
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     1.175112420    -0.077763390     0.689002090 
N2 N     0.982995670    -0.227534730     1.065755190 
C1 C     1.265814340    -0.005345880     0.508752880 
C2 C     1.227138020     0.109767920     0.391284370 
C3 C     1.086273780     0.149741270     0.468341110 
C4 C     0.837645140     0.111539700     0.748906090 
C5 C     0.743119880     0.037903220     0.934107930 
C6 C     0.693018150    -0.156769970     1.239293110 
C7 C     0.743299550    -0.267419880     1.340081430 
C8 C     0.890061580    -0.298298350     1.245689980 
C9 C     0.935061230    -0.118709190     0.965260880 
C10 C     1.036496120    -0.039622280     0.766313250 
C11 C     0.985889920     0.075049980     0.660503630 
C12 C     0.788921640    -0.078455910     1.046608930 
H1 H     1.376442690    -0.039236810     0.451618830 
H2 H     1.307193860     0.164616570     0.244235730 
H3 H     1.051129600     0.237778770     0.383771580 
H4 H     0.802392790     0.199550000     0.664356930 
H5 H     0.630977940     0.065965590     1.000327610 
H6 H     0.580820760    -0.128746710     1.305594400 
H7 H     0.672840600    -0.329933220     1.488290870 
H8 H     0.932719580    -0.385185750     1.321855020 
N3 N     0.621785400     0.519266360     0.296380680 
N4 N     0.923237690     0.441127820     0.258142350 
N5 N     0.761228820     0.550557000     0.004547430 
N6 N     0.306468340     0.688702630    -0.055636310 
N7 N     0.552898690     0.661236840    -0.229991110 
C13 C     0.767344440     0.507361780     0.178265260 
C14 C     0.594905400     0.609112660    -0.054494540 
C15 C     0.443529600     0.625203950     0.056549020 
C16 C     0.445212650     0.579485770     0.247322520 
C17 C     0.380516430     0.707364620    -0.224672710 
H9 H     0.631194880     0.478134030     0.433849920 
H10 H     0.967133210     0.445786860     0.346502890 
H11 H     1.033032600     0.444785920     0.159596250 
H12 H     0.178140110     0.715124090    -0.017609980 
H13 H     0.302137490     0.755600090    -0.340297140 
O1 O     0.323093940     0.585583730     0.360503440 

#END
data_-247.996_guan_phenan_15_2397668 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 19.6325
_cell_length_b 9.3898
_cell_length_c 17.4161
_cell_angle_alpha 90.0
_cell_angle_beta 105.3768
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.480403710     0.938704040     0.873516550 
N2 N     0.458479550     1.204635260     0.930259660 
C1 C     0.490359030     0.811058520     0.846671320 
C2 C     0.448645870     0.691263170     0.851789610 
C3 C     0.394048560     0.707600950     0.886867410 
C4 C     0.325678270     0.866112540     0.953531000 
C5 C     0.314916890     0.996839200     0.981464320 
C6 C     0.349220080     1.251787080     1.003043820 
C7 C     0.393443160     1.360975760     0.994700550 
C8 C     0.447470040     1.331225560     0.957647650 
C9 C     0.415448620     1.096576320     0.938062370 
C10 C     0.427027660     0.956148950     0.908104930 
C11 C     0.381656720     0.842325390     0.916353010 
C12 C     0.359207230     1.114861750     0.974544320 
H1 H     0.533854340     0.801239880     0.819220860 
H2 H     0.459771470     0.589407610     0.828493300 
H3 H     0.360344830     0.618579710     0.892214510 
H4 H     0.291995120     0.777109950     0.958927920 
H5 H     0.272470780     1.014262280     1.009575720 
H6 H     0.306775500     1.269270240     1.031175220 
H7 H     0.387373960     1.467524470     1.015850600 
H8 H     0.483212890     1.415498960     0.950274020 
N3 N     0.220069390     0.492802060     0.766695310 
N4 N     0.294955120     0.609467210     0.702757610 
N5 N     0.211349200     0.741904420     0.744075770 
N6 N     0.076794380     0.654380590     0.835797190 
N7 N     0.115787440     0.850972070     0.788232870 
C13 C     0.240909830     0.619378720     0.739512920 
C14 C     0.155916760     0.736817190     0.777606840 
C15 C     0.132651670     0.613150980     0.806892010 
C16 C     0.163849750     0.476967890     0.803191780 
C17 C     0.069462300     0.797413430     0.822890840 
H9 H     0.242792660     0.400147060     0.757122900 
H10 H     0.333913860     0.539076390     0.725712480 
H11 H     0.312657370     0.706265040     0.691622610 
H12 H     0.047852140     0.590018240     0.861142550 
H13 H     0.029130560     0.858014260     0.840073600 
O1 O     0.148450220     0.360970580     0.825263590 

#END
data_-247.726_guan_phenan_15_1389329 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 12.8509
_cell_length_b 9.6173
_cell_length_c 46.55
_cell_angle_alpha 90.0
_cell_angle_beta 32.9004
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.010851070     0.040256830     0.044816200 
N2 N    -0.198812350    -0.183360060     0.113287600 
C1 C     0.112208630     0.146274310     0.011675250 
C2 C     0.265287030     0.133646060    -0.043331980 
C3 C     0.312818160     0.002994020    -0.064053150 
C4 C     0.250630460    -0.251755860    -0.049133600 
C5 C     0.147614370    -0.361709720    -0.015475090 
C6 C    -0.116150870    -0.454629810     0.076065740 
C7 C    -0.262710390    -0.429502820     0.129106160 
C8 C    -0.297916060    -0.291113370     0.145607360 
C9 C    -0.054628380    -0.206590410     0.061142930 
C10 C     0.056094490    -0.088513060     0.024985600 
C11 C     0.208024490    -0.113083800    -0.029962080 
C12 C    -0.006798000    -0.342277650     0.040210550 
H1 H     0.071479310     0.248290020     0.029134700 
H2 H     0.342573990     0.225212630    -0.068289710 
H3 H     0.429555990    -0.012251770    -0.106186080 
H4 H     0.367411030    -0.267045060    -0.091261290 
H5 H     0.180492500    -0.466482190    -0.030197420 
H6 H    -0.083312010    -0.559452840     0.061360050 
H7 H    -0.349758550    -0.513170390     0.157806690 
H8 H    -0.412830230    -0.268211120     0.187295190 
N3 N     0.244472480     1.106568290     0.766049600 
N4 N     0.290795410     0.987035020     0.712114190 
N5 N     0.273956640     0.861031160     0.758455200 
N6 N     0.225576830     0.954077930     0.842609650 
N7 N     0.265145730     0.757821220     0.808225970 
C13 C     0.267054930     0.980521410     0.747017670 
C14 C     0.259579880     0.868687010     0.791000440 
C15 C     0.234766320     0.992096930     0.811973340 
C16 C     0.225902460     1.125032480     0.800491040 
C17 C     0.244570150     0.813042300     0.838710050 
H9 H     0.251320790     1.196182820     0.753133170 
H10 H     0.213863590     1.059401310     0.719274310 
H11 H     0.286788040     0.891877570     0.703879070 
H12 H     0.208303190     1.019118010     0.863394040 
H13 H     0.242352260     0.755119260     0.859092960 
O1 O     0.207420240     1.240289840     0.815339080 

#END
data_-247.584_guan_phenan_2_445911 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 7.0843
_cell_length_b 10.1384
_cell_length_c 16.0877
_cell_angle_alpha 47.1722
_cell_angle_beta 106.9504
_cell_angle_gamma 112.0865
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.171944790     0.823214550     0.262265810 
N2 N     0.236467950     0.861096590     0.423579440 
C1 C     0.141470020     0.803414350     0.185959160 
C2 C     0.146320460     0.641539240     0.211419510 
C3 C     0.185119080     0.494425720     0.322557280 
C4 C     0.259829660     0.361793510     0.523863440 
C5 C     0.291650260     0.380440350     0.603170430 
C6 C     0.317320310     0.572011740     0.652656980 
C7 C     0.308846000     0.736962140     0.617660390 
C8 C     0.267642150     0.877505940     0.501487540 
C9 C     0.244331690     0.699922080     0.456802890 
C10 C     0.210275320     0.679920080     0.371622200 
C11 C     0.218593940     0.510021540     0.406704670 
C12 C     0.284822610     0.548877460     0.572028330 
H1 H     0.111092190     0.921821440     0.098833910 
H2 H     0.119950540     0.634663300     0.144491860 
H3 H     0.190351590     0.366565660     0.346572470 
H4 H     0.265187770     0.233973590     0.547894710 
H5 H     0.322851920     0.267806720     0.691748250 
H6 H     0.348557670     0.459400260     0.741267670 
H7 H     0.332981550     0.759748550     0.677152200 
H8 H     0.260097210     1.009328730     0.471431570 
N3 N     0.440255430     0.841899520    -0.020807640 
N4 N     0.621567040     0.625774300     0.056906550 
N5 N     0.323384750     0.626509890    -0.052460550 
N6 N    -0.044814140     0.884575770    -0.189783180 
N7 N    -0.000214580     0.650202150    -0.162786210 
C13 C     0.456093570     0.698348280    -0.009206540 
C14 C     0.160570510     0.703036580    -0.110706210 
C15 C     0.136242280     0.849064140    -0.126512640 
C16 C     0.278731760     0.931834340    -0.080730670 
C17 C    -0.118531180     0.761302950    -0.208604860 
H9 H     0.543051530     0.883889410     0.020528960 
H10 H     0.754295540     0.716166390     0.051102220 
H11 H     0.636485610     0.535202990     0.052713370 
H12 H    -0.107505150     0.982597750    -0.215967340 
H13 H    -0.260465420     0.758390010    -0.256719540 
O1 O     0.275351530     1.057306210    -0.086553120 

#END
data_-247.276_guan_phenan_19_267458 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 9.252
_cell_length_b 6.0427
_cell_length_c 27.5949
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     1.072889940     1.280457390     0.637439290 
N2 N     0.800701880     1.093241650     0.638647750 
C1 C     1.202506480     1.371646020     0.637129700 
C2 C     1.237978210     1.567652280     0.662028560 
C3 C     1.131411270     1.671279300     0.688379020 
C4 C     0.875819870     1.679309980     0.716382110 
C5 C     0.741977860     1.587332170     0.716959250 
C6 C     0.574370470     1.288242430     0.690819310 
C7 C     0.552502810     1.096182670     0.665063680 
C8 C     0.670116210     1.005427430     0.639499050 
C9 C     0.823607760     1.281692760     0.663777790 
C10 C     0.967332160     1.380563090     0.663137430 
C11 C     0.991381290     1.579168520     0.689629490 
C12 C     0.712396710     1.387351990     0.690849320 
H1 H     1.284618850     1.286213820     0.616027620 
H2 H     1.346757580     1.633560710     0.660209230 
H3 H     1.153288940     1.822672840     0.708228320 
H4 H     0.897635510     1.830749130     0.736209800 
H5 H     0.654865570     1.663846120     0.737262820 
H6 H     0.487192610     1.364720010     0.711117940 
H7 H     0.447992710     1.015349250     0.664203430 
H8 H     0.655927010     0.853749070     0.618821690 
N3 N     0.174814340     0.835454410     0.980409120 
N4 N     0.062827020     0.589764040     1.034062270 
N5 N    -0.071821880     0.878157440     1.001731850 
N6 N     0.010304110     1.323821200     0.923893390 
N7 N    -0.182517830     1.203503480     0.965289770 
C13 C     0.050376270     0.772481200     1.004352760 
C14 C    -0.068479040     1.063237370     0.973360150 
C15 C     0.052834110     1.134727930     0.947881750 
C16 C     0.188535180     1.022913330     0.949720810 
C17 C    -0.131155850     1.355783530     0.935783050 
H9 H     0.268265830     0.752800600     0.986270940 
H10 H     0.126936230     0.465427150     1.022419750 
H11 H    -0.034154420     0.538435070     1.046561000 
H12 H     0.072912640     1.417342060     0.902118010 
H13 H    -0.192314320     1.493931640     0.921798020 
O1 O     0.302797150     1.068091200     0.930036590 

#END
data_-247.152_guan_phenan_15_1749854 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 18.6388
_cell_length_b 9.186
_cell_length_c 19.7529
_cell_angle_alpha 90.0
_cell_angle_beta 72.0467
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.019503660     0.846538160     0.440039020 
N2 N    -0.111619610     0.685823100     0.487999360 
C1 C     0.082404160     0.922849120     0.417654220 
C2 C     0.140384550     0.918405880     0.449454910 
C3 C     0.131243350     0.829195790     0.507458650 
C4 C     0.051942690     0.651015330     0.593253450 
C5 C    -0.012538570     0.572048630     0.616857140 
C6 C    -0.137118850     0.500394130     0.605638210 
C7 C    -0.189840180     0.513686500     0.570241270 
C8 C    -0.174067380     0.608475000     0.511455210 
C9 C    -0.059419820     0.673757550     0.522254050 
C10 C     0.009817470     0.758629280     0.496932880 
C11 C     0.064799720     0.745854630     0.533063350 
C12 C    -0.069604450     0.581190420     0.582240070 
H1 H     0.088130850     0.992370800     0.371721180 
H2 H     0.190635130     0.984042520     0.428314470 
H3 H     0.174304200     0.821844760     0.533832690 
H4 H     0.094966050     0.643702460     0.619660830 
H5 H    -0.021996580     0.500437570     0.662457960 
H6 H    -0.146611730     0.428759500     0.651253050 
H7 H    -0.242333670     0.453346220     0.586673290 
H8 H    -0.214736110     0.621140210     0.482489100 
N3 N     0.267746490     0.815340570     0.779311950 
N4 N     0.211620240     0.705063240     0.701561310 
N5 N     0.294038950     0.569606910     0.743614260 
N6 N     0.405736830     0.649708500     0.854132400 
N7 N     0.386497230     0.458272240     0.791669130 
C13 C     0.258953930     0.691692440     0.742902940 
C14 C     0.342513240     0.572287120     0.783219710 
C15 C     0.353481250     0.692736460     0.821734980 
C16 C     0.315876350     0.828270660     0.822454940 
C17 C     0.423118910     0.508815750     0.834073340 
H9 H     0.241960370     0.909055530     0.773130140 
H10 H     0.165084000     0.767107700     0.721051590 
H11 H     0.201399140     0.608081950     0.682249400 
H12 H     0.426264400     0.711667010     0.886031340 
H13 H     0.463197790     0.447436340     0.852067900 
O1 O     0.320789880     0.941888850     0.852651840 

#END
data_-247.069_guan_phenan_2_622234 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 10.6578
_cell_length_b 10.1473
_cell_length_c 12.5951
_cell_angle_alpha 65.0852
_cell_angle_beta 118.5848
_cell_angle_gamma 68.6766
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.881402390     0.356000210     0.551006460 
N2 N     1.038827210    -0.028759900     0.790147820 
C1 C     0.805261650     0.540020960     0.435424610 
C2 C     0.675567400     0.661548470     0.255228870 
C3 C     0.624469410     0.584575370     0.195115130 
C4 C     0.655235470     0.299789090     0.259972040 
C5 C     0.732705000     0.110580290     0.377554520 
C6 C     0.946762300    -0.202880040     0.684534670 
C7 C     1.072055150    -0.307437900     0.857490190 
C8 C     1.113159750    -0.212553070     0.903182360 
C9 C     0.915644950     0.075483540     0.620012770 
C10 C     0.832526970     0.278648780     0.493734920 
C11 C     0.702726170     0.388404060     0.314461410 
C12 C     0.864148660    -0.005979680     0.559572120 
H1 H     0.848121620     0.597034340     0.486558150 
H2 H     0.618457810     0.811554110     0.167469850 
H3 H     0.524922980     0.672279560     0.057404790 
H4 H     0.555802380     0.387387160     0.122312620 
H5 H     0.696302250     0.044187070     0.335615680 
H6 H     0.910416930    -0.269372650     0.642659540 
H7 H     1.138261640    -0.458922130     0.957120560 
H8 H     1.211728990    -0.291675870     1.038935970 
N3 N     0.472108960     0.702494580     0.445885900 
N4 N     0.622027320     0.723153450     0.639054710 
N5 N     0.420479560     0.993343210     0.345310290 
N6 N     0.158328900     1.080625800    -0.022960390 
N7 N     0.215512130     1.244686630     0.035146630 
C13 C     0.498112370     0.815094750     0.469398000 
C14 C     0.310240470     1.062953450     0.185557470 
C15 C     0.276505940     0.958184580     0.152490670 
C16 C     0.358505230     0.762819040     0.284953000 
C17 C     0.127302470     1.249101890    -0.085335770 
H9 H     0.546399020     0.559551270     0.550502930 
H10 H     0.613417370     0.640971770     0.710735230 
H11 H     0.618529910     0.820733370     0.644571150 
H12 H     0.106846930     1.049089500    -0.089304380 
H13 H     0.038363450     1.371722280    -0.220921990 
O1 O     0.343685200     0.653776640     0.275219800 

#END
data_-246.948_guan_phenan_19_154418 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 11.111
_cell_length_b 9.7855
_cell_length_c 14.2469
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.799729700    -0.002489580     0.643193930 
N2 N     0.817965120     0.251226580     0.726767970 
C1 C     0.791456180    -0.124350780     0.604026200 
C2 C     0.819894980    -0.247432030     0.650169330 
C3 C     0.858741260    -0.240941610     0.741757760 
C4 C     0.908836020    -0.099147530     0.881372990 
C5 C     0.917858530     0.025593720     0.922452810 
C6 C     0.896148170     0.278282040     0.912758330 
C7 C     0.865835440     0.391526070     0.860630510 
C8 C     0.827103960     0.371916690     0.767498720 
C9 C     0.847417620     0.139273520     0.777155330 
C10 C     0.837797380     0.005299200     0.733023790 
C11 C     0.868856450    -0.112632870     0.786172580 
C12 C     0.887602590     0.147405240     0.871814350 
H1 H     0.760497060    -0.126436820     0.531624050 
H2 H     0.811056870    -0.344124180     0.613755410 
H3 H     0.881703770    -0.332887790     0.780412380 
H4 H     0.931867950    -0.191052270     0.920024720 
H5 H     0.948198130     0.035232270     0.994538620 
H6 H     0.926502980     0.287982730     0.984857580 
H7 H     0.871255050     0.493653200     0.889719550 
H8 H     0.802597480     0.459602500     0.724660350 
N3 N     0.521250830    -0.058812840     0.794195580 
N4 N     0.465143470    -0.175238310     0.657672800 
N5 N     0.546924130    -0.298577050     0.781306200 
N6 N     0.662940760    -0.207538870     1.003136930 
N7 N     0.642747820    -0.399105360     0.918564070 
C13 C     0.511544540    -0.181905920     0.747407070 
C14 C     0.597463810    -0.290969400     0.868518880 
C15 C     0.608926240    -0.170520600     0.919871540 
C16 C     0.570860430    -0.040746710     0.885209020 
C17 C     0.680710100    -0.345154300     0.997942010 
H9 H     0.498208900     0.029134490     0.761499220 
H10 H     0.398112120    -0.107564350     0.646290910 
H11 H     0.448754270    -0.268982390     0.630889310 
H12 H     0.684299850    -0.144026190     1.056286710 
H13 H     0.722067200    -0.401622160     1.054509790 
O1 O     0.576797460     0.071849430     0.921601310 

#END
data_-246.922_guan_phenan_14_169235 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 10.0171
_cell_length_b 9.3256
_cell_length_c 21.8168
_cell_angle_alpha 90.0
_cell_angle_beta 51.2386
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N    -0.239670120     0.854715020     0.596433030 
N2 N    -0.080958500     0.664031160     0.472433440 
C1 C    -0.314036290     0.946088200     0.655561630 
C2 C    -0.226400540     1.024417510     0.675756190 
C3 C    -0.052483340     1.004990280     0.631322570 
C4 C     0.212648120     0.883278600     0.519178360 
C5 C     0.290675120     0.789479350     0.458235780 
C6 C     0.272279690     0.614682530     0.377605310 
C7 C     0.173281590     0.544184270     0.363487550 
C8 C    -0.003598100     0.573128780     0.413011750 
C9 C     0.014729210     0.733930830     0.486912220 
C10 C    -0.069076870     0.834613700     0.552392860 
C11 C     0.031855690     0.908232230     0.567613420 
C12 C     0.194508580     0.712748360     0.440549380 
H1 H    -0.451529560     0.959352340     0.689650180 
H2 H    -0.295535710     1.097773430     0.725138490 
H3 H     0.020910800     1.062887760     0.644455740 
H4 H     0.286053830     0.941087710     0.532320630 
H5 H     0.427577550     0.770961850     0.421761620 
H6 H     0.409210840     0.596108270     0.341108090 
H7 H     0.228531470     0.468143200     0.315683710 
H8 H    -0.084947360     0.518921990     0.403230060 
N3 N     0.091247340     0.874787940     0.727984750 
N4 N    -0.173531330     0.764029760     0.787860220 
N5 N     0.074216190     0.629204050     0.705491310 
N6 N     0.514652900     0.709520260     0.588836630 
N7 N     0.353845300     0.517978320     0.612245040 
C13 C     0.002379230     0.751143830     0.739366560 
C14 C     0.249008370     0.631930120     0.655459710 
C15 C     0.346366240     0.752453590     0.641905310 
C16 C     0.272269970     0.887856330     0.678129410 
C17 C     0.510316280     0.568617430     0.573547290 
H9 H     0.027368320     0.967947170     0.752744460 
H10 H    -0.228761400     0.828885910     0.835081020 
H11 H    -0.231803200     0.667857180     0.800328480 
H12 H     0.618262100     0.771539200     0.566516950 
H13 H     0.625982940     0.507305320     0.533375150 
O1 O     0.341197840     1.001419380     0.670928330 

#END
data_-246.872_guan_phenan_14_21026 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 8.6194
_cell_length_b 9.8492
_cell_length_c 19.2318
_cell_angle_alpha 90.0
_cell_angle_beta 111.4747
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.744112970     0.420449710     0.985419900 
N2 N     0.817290290     0.168354780     0.942562400 
C1 C     0.709822470     0.541546640     1.005459170 
C2 C     0.742546050     0.664416100     0.975977100 
C3 C     0.814687460     0.658548860     0.922977650 
C4 C     0.928624740     0.518269840     0.845127960 
C5 C     0.964678870     0.394332960     0.824080090 
C6 C     0.964558030     0.142655060     0.835318470 
C7 C     0.926855820     0.029543390     0.868057640 
C8 C     0.852929120     0.048447730     0.921622700 
C9 C     0.853630940     0.280166790     0.910854960 
C10 C     0.815001950     0.413286120     0.933488660 
C11 C     0.853343410     0.531070480     0.900047960 
C12 C     0.928418340     0.272701420     0.856149070 
H1 H     0.652830380     0.543148290     1.047412550 
H2 H     0.711168120     0.760469050     0.994978170 
H3 H     0.842313870     0.750354730     0.898503480 
H4 H     0.956350790     0.610043270     0.820677480 
H5 H     1.021702310     0.385213710     0.782489740 
H6 H     1.021612700     0.133475680     0.793725650 
H7 H     0.952780190    -0.071956880     0.853456730 
H8 H     0.821828400    -0.039148460     0.948416970 
N3 N     0.539578060     0.359200800     0.227132300 
N4 N     0.414221310     0.243228180     0.298909170 
N5 N     0.498885130     0.120968310     0.215888690 
N6 N     0.679328430     0.211913080     0.084838650 
N7 N     0.588114330     0.021404000     0.120823520 
C13 C     0.487756810     0.236803820     0.246185160 
C14 C     0.565226130     0.128723030     0.161502680 
C15 C     0.621357460     0.248502810     0.140116650 
C16 C     0.611742770     0.377353940     0.172193300 
C17 C     0.655997410     0.075182310     0.075994450 
H9 H     0.518458230     0.446504640     0.249929980 
H10 H     0.462271810     0.310419780     0.341010310 
H11 H     0.394759060     0.150029650     0.316074850 
H12 H     0.728566940     0.275131720     0.057183050 
H13 H     0.691034320     0.019209560     0.035729470 
O1 O     0.653546930     0.489299170     0.158314280 

#END
data_-246.617_guan_phenan_14_197577 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 11.19
_cell_length_b 9.519
_cell_length_c 18.2883
_cell_angle_alpha 90.0
_cell_angle_beta 126.7556
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.670079540     0.723184660     0.727178570 
N2 N     0.560460570     0.987985270     0.656932010 
C1 C     0.723242320     0.597131710     0.761607330 
C2 C     0.815538070     0.566994120     0.855688070 
C3 C     0.852995760     0.675184370     0.915786060 
C4 C     0.833595500     0.928526920     0.940824280 
C5 C     0.779763410     1.058732680     0.906294290 
C6 C     0.628761380     1.217099700     0.772029890 
C7 C     0.539492240     1.233863360     0.678776300 
C8 C     0.508805500     1.115073600     0.624201980 
C9 C     0.648170980     0.970103450     0.748324150 
C10 C     0.706064900     0.830279390     0.785419500 
C11 C     0.798495060     0.811523840     0.881742070 
C12 C     0.686206910     1.082932550     0.809749360 
H1 H     0.691821610     0.513629630     0.712552950 
H2 H     0.855336610     0.460933170     0.879317530 
H3 H     0.923742090     0.657381280     0.988945120 
H4 H     0.904397320     0.910779560     1.013977320 
H5 H     0.806703740     1.146955320     0.951326670 
H6 H     0.655686820     1.305385070     0.817043360 
H7 H     0.493354690     1.335305530     0.647358250 
H8 H     0.438599170     1.125258840     0.550288320 
N3 N     0.941162400     0.436119530     0.203243370 
N4 N     1.104293930     0.320299740     0.342497920 
N5 N     0.914038920     0.192971190     0.217984080 
N6 N     0.618291880     0.282412490    -0.008695150 
N7 N     0.698872620     0.089304600     0.078553710 
C13 C     0.983477320     0.311852700     0.251712020 
C14 C     0.791330710     0.199610130     0.128956360 
C15 C     0.743427500     0.321039100     0.075972730 
C16 C     0.816883810     0.453195520     0.110431800 
C17 C     0.597726560     0.142956610    -0.002645800 
H9 H     0.995226820     0.526408000     0.235212760 
H10 H     1.188078080     0.385314530     0.358473070 
H11 H     1.139230920     0.224489340     0.371727430 
H12 H     0.556036170     0.346110650    -0.063222110 
H13 H     0.506438440     0.084956470    -0.059988100 
O1 O     0.786384320     0.567008090     0.072552050 

#END
data_-246.153_guan_phenan_9_452580 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 +x,-y,1/2+z
3 1/2+x,1/2+y,+z
4 1/2+x,1/2-y,1/2+z
_cell_length_a 9.9
_cell_length_b 23.7275
_cell_length_c 9.5796
_cell_angle_alpha 90.0
_cell_angle_beta 136.5935
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.362878620     1.236659940     0.478264800 
N2 N     0.446215880     1.194405560     0.278900630 
C1 C     0.323035890     1.256331130     0.574073740 
C2 C     0.307688000     1.222472740     0.682770560 
C3 C     0.335837600     1.165320960     0.690150520 
C4 C     0.409377040     1.083459800     0.591645370 
C5 C     0.450258100     1.062678930     0.493550390 
C6 C     0.506226850     1.078847480     0.282027480 
C7 C     0.517529870     1.116062270     0.180664690 
C8 C     0.486075220     1.173684820     0.184145130 
C9 C     0.434741750     1.158338150     0.378975980 
C10 C     0.390722210     1.180648920     0.484238610 
C11 C     0.378650780     1.142610440     0.589664280 
C12 C     0.463968820     1.099299690     0.385253780 
H1 H     0.301548540     1.301640080     0.565755070 
H2 H     0.274498960     1.241422510     0.758027200 
H3 H     0.325702350     1.137420560     0.772029590 
H4 H     0.399143190     1.055547920     0.673399610 
H5 H     0.473350990     1.017861620     0.495493310 
H6 H     0.529318000     1.034021430     0.283903760 
H7 H     0.549704110     1.101900360     0.099741020 
H8 H     0.494067810     1.204046700     0.105280660 
N3 N     0.466346770     0.469652460     1.537466270 
N4 N     0.505979210     0.555821180     1.452074450 
N5 N     0.473791550     0.474336070     1.295918460 
N6 N     0.427317330     0.330209630     1.345099070 
N7 N     0.451534270     0.382152690     1.168826010 
C13 C     0.478818670     0.498324790     1.421701730 
C14 C     0.457547560     0.416994270     1.287507710 
C15 C     0.442437630     0.385571310     1.398535940 
C16 C     0.446742610     0.410365640     1.537411360 
C17 C     0.433628340     0.331052210     1.207636590 
H9 H     0.482546210     0.490653330     1.640796670 
H10 H     0.434753550     0.575986200     1.476423710 
H11 H     0.493742250     0.575067600     1.349239670 
H12 H     0.414387500     0.296487200     1.398716040 
H13 H     0.424458470     0.292872760     1.139755210 
O1 O     0.437714150     0.388166120     1.645267260 

#END
data_-245.849_guan_phenan_4_392119 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,-z
_cell_length_a 5.9195
_cell_length_b 9.2928
_cell_length_c 16.0751
_cell_angle_alpha 90.0
_cell_angle_beta 60.7327
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     1.180161060     0.528153130     0.776068660 
N2 N     0.994063280     0.799387050     0.772970730 
C1 C     1.270103460     0.399003610     0.778089230 
C2 C     1.398574290     0.364872230     0.829660130 
C3 C     1.433039440     0.472321810     0.881287550 
C4 C     1.369855760     0.728321400     0.933243800 
C5 C     1.278474840     0.861693160     0.931687730 
C6 C     1.052380890     1.027407930     0.874884040 
C7 C     0.929942800     1.047944230     0.821842210 
C8 C     0.906056030     0.929527960     0.772040520 
C9 C     1.114558210     0.777786110     0.824755510 
C10 C     1.212844430     0.634565390     0.826387050 
C11 C     1.339812130     0.611891550     0.880976660 
C12 C     1.149193290     0.889897010     0.877765160 
H1 H     1.240108820     0.316172530     0.736677340 
H2 H     1.467631540     0.256409040     0.828171880 
H3 H     1.530695070     0.451489150     0.922265930 
H4 H     1.467617510     0.707549220     0.974179410 
H5 H     1.301779900     0.949466640     0.971368330 
H6 H     1.075664200     1.115246430     0.914553690 
H7 H     0.853100990     1.152023570     0.817949780 
H8 H     0.810218480     0.942660720     0.729526890 
N3 N     0.538043210     0.773056370     0.537425090 
N4 N     0.429328930     0.660764790     0.431563720 
N5 N     0.632384400     0.526500320     0.497767030 
N6 N     0.878683160     0.608978680     0.652475870 
N7 N     0.862511640     0.416051310     0.572044970 
C13 C     0.535096500     0.648582020     0.491046190 
C14 C     0.744487160     0.529976960     0.554496130 
C15 C     0.751904680     0.651356060     0.603964100 
C16 C     0.646626050     0.786940770     0.598636720 
C17 C     0.939460600     0.467539950     0.630436700 
H9 H     0.472063980     0.866280690     0.524686370 
H10 H     0.273718740     0.725658450     0.453301780 
H11 H     0.408320820     0.564001890     0.407530300 
H12 H     0.916929320     0.671664730     0.695264260 
H13 H     1.040813460     0.406493190     0.659166260 
O1 O     0.642645320     0.901212010     0.636630980 

#END
data_-245.808_guan_phenan_19_347111 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 23.5715
_cell_length_b 9.3647
_cell_length_c 7.1451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.236719640     0.691496880     0.700111450 
N2 N     0.192566730     0.421759140     0.644336650 
C1 C     0.257304330     0.820918150     0.727201900 
C2 C     0.224732780     0.937911780     0.788655540 
C3 C     0.167913470     0.916680580     0.822842370 
C4 C     0.085385550     0.751059980     0.828610720 
C5 C     0.063668920     0.618462030     0.801106690 
C6 C     0.077550750     0.364705650     0.708557890 
C7 C     0.113540210     0.258613370     0.648160690 
C8 C     0.170945310     0.293305580     0.618135010 
C9 C     0.157706640     0.526818570     0.703618170 
C10 C     0.181019580     0.669255940     0.733058130 
C11 C     0.144253090     0.779916000     0.795529350 
C12 C     0.098994090     0.503478720     0.738279050 
H1 H     0.302324850     0.834613420     0.699157750 
H2 H     0.244384060     1.041462340     0.808005940 
H3 H     0.140995110     1.003384900     0.870515130 
H4 H     0.058452580     0.837745540     0.876174020 
H5 H     0.019070050     0.597199140     0.826322100 
H6 H     0.032942120     0.343382060     0.733739300 
H7 H     0.098593510     0.150776310     0.623856550 
H8 H     0.200346860     0.211562310     0.570348970 
N3 N     0.970271260     0.868420550     0.278836650 
N4 N     1.054859380     0.984702710     0.201113150 
N5 N     0.971325050     1.115717910     0.208033030 
N6 N     0.828079250     1.027359730     0.291758910 
N7 N     0.877252930     1.222887320     0.212604750 
C13 C     0.997165460     0.994327710     0.231428120 
C14 C     0.913881960     1.110017620     0.231655700 
C15 C     0.884207440     0.987043790     0.281181660 
C16 C     0.911062450     0.852131210     0.308634880 
C17 C     0.826803850     1.169235130     0.249367570 
H9 H     0.992553660     0.776202730     0.284296290 
H10 H     1.076942560     0.918008970     0.284911660 
H11 H     1.072968960     1.081781220     0.186065530 
H12 H     0.795215600     0.963167740     0.324439290 
H13 H     0.787620080     1.228947650     0.247305840 
O1 O     0.890491150     0.736744580     0.349297540 

#END
data_-245.685_guan_phenan_2_783294 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 10.1015
_cell_length_b 13.7443
_cell_length_c 7.8235
_cell_angle_alpha 69.5107
_cell_angle_beta 70.0691
_cell_angle_gamma 51.8509
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.469900970     0.379756120     0.706817830 
N2 N     0.523599500     0.537823910     0.768832530 
C1 C     0.445907380     0.303457230     0.676521150 
C2 C     0.578166330     0.191082130     0.609798790 
C3 C     0.742868100     0.158261050     0.573719670 
C4 C     0.942532720     0.208324190     0.569196190 
C5 C     0.968934850     0.286064260     0.599598790 
C6 C     0.852734830     0.481790630     0.700491750 
C7 C     0.713386280     0.589171640     0.765949390 
C8 C     0.550938670     0.612628760     0.797852880 
C9 C     0.659259530     0.432131600     0.704637970 
C10 C     0.630906150     0.348667510     0.671877760 
C11 C     0.773940930     0.237302680     0.604220040 
C12 C     0.828970070     0.399336570     0.667692510 
H1 H     0.314508980     0.331699760     0.706267160 
H2 H     0.549390580     0.132746410     0.587982400 
H3 H     0.849285930     0.072561960     0.522229750 
H4 H     1.048951940     0.122682840     0.517613400 
H5 H     1.096824290     0.263696610     0.572818550 
H6 H     0.980628870     0.459469280     0.673709080 
H7 H     0.726700520     0.654684760     0.792780110 
H8 H     0.438528520     0.696804160     0.849539210 
N3 N     0.127123550     1.039567770     0.009461030 
N4 N     0.424994190     0.923350310    -0.068239380 
N5 N     0.280605940     1.114938510     0.020326010 
N6 N    -0.155139030     1.350269860     0.140964780 
N7 N     0.095603150     1.322043240     0.104197250 
C13 C     0.275625940     1.029714150    -0.008530370 
C14 C     0.124205700     1.219005570     0.068706450 
C15 C    -0.030193430     1.234390230     0.090981340 
C16 C    -0.040800670     1.142907660     0.061188770 
C17 C    -0.071718240     1.397646540     0.146429160 
H9 H     0.132088820     0.972985690    -0.025415000 
H10 H     0.432198420     0.842040580    -0.020664840 
H11 H     0.529437680     0.915062480    -0.060455820 
H12 H    -0.282013680     1.390267660     0.167471840 
H13 H    -0.139641760     1.488536370     0.182388720 
O1 O    -0.165861280     1.144757900     0.073065190 

#END
data_-245.502_guan_phenan_4_189096 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,-z
_cell_length_a 6.8678
_cell_length_b 9.6393
_cell_length_c 12.0305
_cell_angle_alpha 90.0
_cell_angle_beta 92.2205
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.186746180     0.402625970     0.105467460 
N2 N     0.199845310     0.150459240     0.214336840 
C1 C     0.181004140     0.522534800     0.052486310 
C2 C     0.214078500     0.537853100    -0.061637770 
C3 C     0.254948250     0.420987850    -0.122114780 
C4 C     0.304435060     0.165373020    -0.126979920 
C5 C     0.310969270     0.041399670    -0.073448590 
C6 C     0.281905210    -0.095036180     0.100702540 
C7 C     0.247096390    -0.097190910     0.212545980 
C8 C     0.206592280     0.029297520     0.265433450 
C9 C     0.233701090     0.154006530     0.104579800 
C10 C     0.226798610     0.287162310     0.047091540 
C11 C     0.262499910     0.290811790    -0.068577140 
C12 C     0.276019520     0.032373610     0.043013290 
H1 H     0.148335900     0.613134430     0.102311490 
H2 H     0.207130220     0.639580880    -0.099903130 
H3 H     0.281427330     0.427274330    -0.210326100 
H4 H     0.331027060     0.171631370    -0.215164220 
H5 H     0.342822360    -0.053249110    -0.118051190 
H6 H     0.313780460    -0.189739420     0.056131120 
H7 H     0.250358530    -0.193079250     0.259586600 
H8 H     0.178561240     0.030681880     0.353784520 
N3 N     0.417517450     0.696600090     0.533564570 
N4 N     0.649097480     0.812199970     0.430235430 
N5 N     0.409015660     0.941152080     0.513096670 
N6 N     0.003746470     0.854155610     0.670478840 
N7 N     0.133566570     1.047665980     0.601697370 
C13 C     0.488241810     0.821087420     0.495146830 
C14 C     0.244408390     0.935791820     0.573082460 
C15 C     0.166460470     0.814062160     0.615162620 
C16 C     0.249511600     0.680570530     0.597540290 
C17 C    -0.007705670     0.994671650     0.659351440 
H9 H     0.479969570     0.606313540     0.511132170 
H10 H     0.750260730     0.740061520     0.451793180 
H11 H     0.705789720     0.906496060     0.414310260 
H12 H    -0.086725490     0.790682370     0.710545350 
H13 H    -0.122986980     1.053917150     0.695249230 
O1 O     0.195815760     0.566566940     0.627868550 

#END
data_-245.468_guan_phenan_14_954992 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 19.7946
_cell_length_b 9.2334
_cell_length_c 20.5642
_cell_angle_alpha 90.0
_cell_angle_beta 154.6451
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.105988420     0.393269160     0.520638340 
N2 N    -0.162764150     0.228938900     0.304449730 
C1 C     0.234993430     0.471379680     0.625029190 
C2 C     0.361131650     0.474157490     0.779285630 
C3 C     0.349927610     0.390494000     0.824710450 
C4 C     0.195215290     0.216151270     0.756814240 
C5 C     0.063053490     0.135408140     0.650517910 
C6 C    -0.200113340     0.054294660     0.382267800 
C7 C    -0.315703420     0.060333440     0.234830240 
C8 C    -0.290675340     0.149933810     0.202166660 
C9 C    -0.048425750     0.223971380     0.449553620 
C10 C     0.093484330     0.310752330     0.563711330 
C11 C     0.213924160     0.305459330     0.716604820 
C12 C    -0.061553270     0.137090580     0.495020850 
H1 H     0.240691780     0.536409020     0.585954470 
H2 H     0.463742960     0.540886060     0.859076150 
H3 H     0.443990790     0.388799050     0.942329190 
H4 H     0.289201400     0.214494810     0.874388130 
H5 H     0.049471890     0.068006120     0.681559770 
H6 H    -0.213766780    -0.013131890     0.413252680 
H7 H    -0.423677740    -0.001748140     0.145216010 
H8 H    -0.380070400     0.156827160     0.086594380 
N3 N     0.545514490     0.296070220     0.320878990 
N4 N     0.415971900     0.187126420     0.120502850 
N5 N     0.590000040     0.049465300     0.333259000 
N6 N     0.839243120     0.126518800     0.683002410 
N7 N     0.786603400    -0.064549010     0.573724390 
C13 C     0.519572740     0.172584720     0.261973530 
C14 C     0.696364510     0.050780680     0.475648740 
C15 C     0.727004610     0.171033710     0.541214950 
C16 C     0.651806380     0.307689220     0.466453540 
C17 C     0.869669950    -0.014977220     0.695338080 
H9 H     0.493352850     0.390371130     0.262683390 
H10 H     0.321279140     0.251653810     0.045059170 
H11 H     0.389450080     0.090685190     0.076987950 
H12 H     0.887633830     0.187959850     0.760358790 
H13 H     0.954211310    -0.077519850     0.796339790 
O1 O     0.668640210     0.421228140     0.510585700 

#END
data_-245.451_guan_phenan_60_73242 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,+y,1/2-z
4 1/2-x,1/2-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,+z
7 +x,-y,1/2+z
8 1/2+x,1/2+y,1/2-z
_cell_length_a 23.7278
_cell_length_b 9.6229
_cell_length_c 13.5556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.986088440    -0.017379040     0.886208800 
N2 N     0.943366580     0.245150470     0.920253950 
C1 C     1.005984510    -0.143392090     0.869957600 
C2 C     0.971981480    -0.262101730     0.857893270 
C3 C     0.914428070    -0.246440520     0.863285330 
C4 C     0.831903640    -0.090439380     0.887038780 
C5 C     0.810897130     0.038619440     0.903823700 
C6 C     0.827004980     0.290791940     0.933034530 
C7 C     0.864395200     0.399045680     0.943648250 
C8 C     0.922422330     0.370119610     0.936533350 
C9 C     0.907129170     0.138021650     0.909685750 
C10 C     0.929687410    -0.000608770     0.891715250 
C11 C     0.891469790    -0.113452740     0.880588820 
C12 C     0.847684220     0.155601930     0.915529550 
H1 H     1.051607060    -0.152713010     0.866023060 
H2 H     0.991134010    -0.362625620     0.844741150 
H3 H     0.886396120    -0.334684060     0.854424910 
H4 H     0.803865210    -0.178659230     0.878239430 
H5 H     0.765767290     0.055465080     0.908661210 
H6 H     0.781867250     0.307697890     0.937890570 
H7 H     0.850067150     0.504257530     0.957146990 
H8 H     0.952932670     0.453687420     0.944647220 
N3 N     0.779084030     0.027149040     0.663691230 
N4 N     0.694113340     0.145853960     0.687015560 
N5 N     0.775948830     0.273374820     0.662713290 
N6 N     0.918934020     0.183201320     0.631427250 
N7 N     0.868456150     0.379178890     0.643108340 
C13 C     0.751315690     0.153010620     0.669328400 
C14 C     0.833037020     0.267058340     0.650788690 
C15 C     0.863540460     0.143779230     0.643587990 
C16 C     0.838013750     0.009866090     0.650172550 
C17 C     0.919003360     0.324846080     0.631756170 
H9 H     0.757743030    -0.062422480     0.675078650 
H10 H     0.672711840     0.067783310     0.654250970 
H11 H     0.675301090     0.239534200     0.680272460 
H12 H     0.952108380     0.118627740     0.623964030 
H13 H     0.957407870     0.383871000     0.623349990 
O1 O     0.859415380    -0.105234300     0.646483710 

#END
data_-245.399_guan_phenan_14_808277 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 18.308
_cell_length_b 9.8546
_cell_length_c 27.9439
_cell_angle_alpha 90.0
_cell_angle_beta 18.0744
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.821870640     1.338330020     0.787639100 
N2 N     0.935437170     1.101498190     0.669434950 
C1 C     0.766773100     1.450806270     0.845018270 
C2 C     0.673632930     1.453925520     0.949713360 
C3 C     0.637453020     1.332560350     0.995447950 
C4 C     0.660251070     1.080426100     0.980074940 
C5 C     0.715977140     0.963980170     0.922021340 
C6 C     0.869687580     0.847899420     0.753641890 
C7 C     0.959603890     0.857497080     0.652045690 
C8 C     0.988947830     0.987568280     0.613788950 
C9 C     0.847089380     1.093494480     0.769222880 
C10 C     0.787103970     1.218550840     0.831650200 
C11 C     0.694000710     1.210027870     0.936809610 
C12 C     0.810286750     0.967294550     0.815721370 
H1 H     0.797247690     1.545210100     0.806855980 
H2 H     0.632216810     1.550044360     0.992350720 
H3 H     0.566190150     1.329520860     1.075853960 
H4 H     0.588876960     1.077346720     1.060533940 
H5 H     0.690032380     0.866128620     0.955181600 
H6 H     0.843748070     0.749994710     0.786784580 
H7 H     1.007245860     0.768023680     0.602020260 
H8 H     1.059602080     0.998182420     0.533802720 
N3 N     0.450219950     0.825522860     0.259672590 
N4 N     0.589186420     0.707254280     0.239956110 
N5 N     0.430381720     0.585443350     0.275551660 
N6 N     0.167899220     0.678485770     0.329436160 
N7 N     0.239907940     0.485832860     0.324507960 
C13 C     0.489252090     0.701886640     0.257224830 
C14 C     0.320958170     0.593732120     0.300291360 
C15 C     0.278296620     0.714862410     0.302668440 
C16 C     0.340920710     0.844447710     0.282536240 
C17 C     0.150346410     0.540567240     0.341321330 
H9 H     0.488344200     0.912611690     0.253449210 
H10 H     0.713047950     0.778994210     0.168440880 
H11 H     0.635436700     0.614309500     0.223142770 
H12 H     0.112562450     0.742568160     0.338136890 
H13 H     0.070012300     0.484482040     0.362454110 
O1 O     0.311685210     0.957422920     0.283956880 

#END
data_-245.243_guan_phenan_14_210843 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 9.4839
_cell_length_b 3.8529
_cell_length_c 64.2536
_cell_angle_alpha 90.0
_cell_angle_beta 139.9036
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.735359440     1.213348710     0.834676800 
N2 N     0.751950770     1.286940160     0.879263100 
C1 C     0.725520200     1.176460130     0.813166530 
C2 C     0.549327260     1.020032790     0.782705010 
C3 C     0.376220340     0.897603350     0.774726280 
C4 C     0.205263940     0.809501050     0.790174720 
C5 C     0.213456620     0.845524540     0.812100500 
C6 C     0.410262350     1.047963180     0.865980260 
C7 C     0.591138680     1.205321300     0.894993460 
C8 C     0.757962880     1.320462170     0.900375600 
C9 C     0.575353960     1.133033170     0.850696150 
C10 C     0.566596200     1.094148290     0.827153030 
C11 C     0.380432270     0.931914210     0.797053440 
C12 C     0.397482150     1.007183730     0.842755920 
H1 H     0.864498500     1.275629230     0.820108850 
H2 H     0.551875810     0.998133490     0.766182370 
H3 H     0.236460390     0.775149660     0.751539270 
H4 H     0.065558250     0.686875650     0.767001030 
H5 H     0.080422950     0.752328370     0.806773690 
H6 H     0.277250030     0.954756120     0.860665900 
H7 H     0.606655660     1.241178350     0.913406500 
H8 H     0.902826230     1.445670060     0.923094720 
N3 N     0.390701050    -0.192759850     0.009993990 
N4 N     0.021878580    -0.300058460    -0.024296450 
N5 N     0.285410420    -0.485444820     0.028976250 
N6 N     0.862683800    -0.461985700     0.094682060 
N7 N     0.596273030    -0.671858040     0.084977490 
C13 C     0.237437650    -0.327818110     0.006253490 
C14 C     0.504474040    -0.513886240     0.057589810 
C15 C     0.667340450    -0.380736180     0.063071860 
C16 C     0.621179200    -0.205412080     0.038801340 
C17 C     0.808955700    -0.635374100     0.106387020 
H9 H     0.342367430    -0.090989480    -0.009228420 
H10 H    -0.021896590    -0.080295960    -0.036720560 
H11 H    -0.082963280    -0.370235830    -0.024728990 
H12 H     1.013278000    -0.402826760     0.106343410 
H13 H     0.932317870    -0.730335860     0.130920470 
O1 O     0.746055020    -0.081264190     0.040100210 

#END
data_-245.215_guan_phenan_2_188721 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 7.0733
_cell_length_b 11.3476
_cell_length_c 13.1436
_cell_angle_alpha 98.8655
_cell_angle_beta 57.5018
_cell_angle_gamma 118.1317
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.404049450    -0.046788070     0.750818650 
N2 N     0.322307030    -0.288049790     0.829042700 
C1 C     0.444672150     0.069208500     0.713842360 
C2 C     0.611932830     0.196131840     0.723092950 
C3 C     0.741618750     0.200150160     0.773704800 
C4 C     0.832763320     0.075904340     0.867951060 
C5 C     0.792493750    -0.042708910     0.906465120 
C6 C     0.574178750    -0.293579690     0.933871410 
C7 C     0.406033190    -0.411460320     0.920106900 
C8 C     0.284810740    -0.402699970     0.866828220 
C9 C     0.486871780    -0.171645740     0.842004950 
C10 C     0.530025250    -0.044247140     0.800707610 
C11 C     0.703478880     0.078381980     0.814403740 
C12 C     0.619610670    -0.168887070     0.894630420 
H1 H     0.339736760     0.063018700     0.674188270 
H2 H     0.636287500     0.287564290     0.690869720 
H3 H     0.872815700     0.295435780     0.782813000 
H4 H     0.963843550     0.171155680     0.877135230 
H5 H     0.890821010    -0.044016450     0.946963930 
H6 H     0.672460850    -0.294945800     0.974399060 
H7 H     0.366389720    -0.509089670     0.949152250 
H8 H     0.150938520    -0.494255360     0.854851540 
N3 N     0.865830960     0.826129790     0.517158050 
N4 N     0.606476180     0.678396930     0.446942980 
N5 N     0.707775630     0.589911950     0.547730790 
N6 N     1.093294480     0.734542310     0.670748540 
N7 N     0.859921390     0.526985740     0.647651320 
C13 C     0.725154560     0.694681780     0.507680260 
C14 C     0.844945390     0.619383930     0.600002080 
C15 C     0.988617100     0.749425930     0.613500910 
C16 C     1.011631180     0.866735520     0.571131570 
C17 C     1.009133270     0.599510070     0.688595330 
H9 H     0.882589390     0.903251720     0.477812040 
H10 H     0.534028660     0.741563260     0.460045900 
H11 H     0.486475580     0.580613210     0.453805540 
H12 H     1.208542990     0.809714880     0.693924000 
H13 H     1.062742180     0.558967470     0.732324130 
O1 O     1.132128130     0.985347260     0.575355980 

#END
data_-245.201_guan_phenan_2_683285 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 15.7053
_cell_length_b 10.7319
_cell_length_c 7.3817
_cell_angle_alpha 80.6037
_cell_angle_beta 103.0001
_cell_angle_gamma 45.5694
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     1.037280290    -0.023507380     1.310374180 
N2 N     1.278744570    -0.419697580     1.470699700 
C1 C     0.921210130     0.165727100     1.232447850 
C2 C     0.795331760     0.262820380     1.081327140 
C3 C     0.792482910     0.154533970     1.009883580 
C4 C     0.918057780    -0.168823790     1.020960340 
C5 C     1.036780490    -0.363593200     1.099703870 
C6 C     1.286643560    -0.656209060     1.337862220 
C7 C     1.403437370    -0.734928180     1.485068840 
C8 C     1.393511300    -0.609224480     1.546073570 
C9 C     1.163396290    -0.340621630     1.326172880 
C10 C     1.035892220    -0.131412300     1.241500250 
C11 C     0.914376720    -0.048189920     1.089190290 
C12 C     1.161863430    -0.454226520     1.253431050 
H1 H     0.926458450     0.247669320     1.291753530 
H2 H     0.703774080     0.418827890     1.023978430 
H3 H     0.698019710     0.222463430     0.893571240 
H4 H     0.823640700    -0.100929720     0.904580060 
H5 H     1.039005710    -0.454245960     1.047478930 
H6 H     1.288929570    -0.746949050     1.285662250 
H7 H     1.501094300    -0.889405460     1.553400410 
H8 H     1.484197350    -0.667457140     1.662107760 
N3 N     0.171311110     0.289845880     0.655333540 
N4 N     0.319421210     0.260046830     0.889484780 
N5 N     0.405794760    -0.018720850     0.868037440 
N6 N     0.258319560    -0.109654480     0.580801290 
N7 N     0.465390250    -0.286612650     0.823772920 
C13 C     0.302466370     0.169679680     0.803165920 
C14 C     0.374844650    -0.092927210     0.779694460 
C15 C     0.245160140     0.020210800     0.628483900 
C16 C     0.129465520     0.227188280     0.552956770 
C17 C     0.392097160    -0.290117750     0.702530070 
H9 H     0.094401830     0.433211470     0.620934030 
H10 H     0.263491400     0.397735020     0.793099890 
H11 H     0.418638130     0.170051900     0.979639640 
H12 H     0.182888940    -0.075147880     0.476452760 
H13 H     0.431172430    -0.420500180     0.696646750 
O1 O     0.011126670     0.342705150     0.424594080 

#END
data_-245.172_guan_phenan_61_619504 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,+z
7 +x,1/2-y,1/2+z
8 1/2+x,+y,1/2-z
_cell_length_a 23.7752
_cell_length_b 9.7069
_cell_length_c 13.3669
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     1.011832230     0.159830700     0.124804780 
N2 N     1.057017240    -0.098663780     0.155896530 
C1 C     0.990749200     0.283948970     0.110024750 
C2 C     1.023353760     0.404752880     0.103918270 
C3 C     1.080762410     0.393378990     0.113901640 
C4 C     1.164446640     0.243977390     0.140852880 
C5 C     1.186662710     0.116899910     0.156186890 
C6 C     1.173223870    -0.135600770     0.177607920 
C7 C     1.137142730    -0.246233950     0.182235400 
C8 C     1.079129810    -0.221669400     0.170823170 
C9 C     1.091963700     0.010764510     0.151185900 
C10 C     1.068104580     0.147263910     0.134775170 
C11 C     1.104962070     0.262533340     0.129822910 
C12 C     1.151270670    -0.002388540     0.161737590 
H1 H     0.945273920     0.289883510     0.102371870 
H2 H     1.003271410     0.503523210     0.091655530 
H3 H     1.107741810     0.483385330     0.109708130 
H4 H     1.191431180     0.333957460     0.136721110 
H5 H     1.231724130     0.103428230     0.164509650 
H6 H     1.218293460    -0.149132570     0.185948490 
H7 H     1.152472050    -0.350035590     0.194308740 
H8 H     1.049638200    -0.307196320     0.174173450 
N3 N     0.721760240    -0.103051700     0.578547940 
N4 N     0.807127150     0.014196150     0.560991320 
N5 N     0.725782980     0.140542640     0.589028690 
N6 N     0.582579370     0.052305750     0.614707190 
N7 N     0.633738120     0.245989930     0.611287160 
C13 C     0.749964390     0.021307520     0.578156930 
C14 C     0.668719490     0.134741750     0.599844750 
C15 C     0.637786010     0.012886960     0.601869250 
C16 C     0.662809410    -0.119783520     0.590525210 
C17 C     0.583029870     0.192546730     0.619800260 
H9 H     0.742797600    -0.191373820     0.563964840 
H10 H     0.828001800    -0.066018430     0.591559580 
H11 H     0.826201970     0.105990010     0.571744280 
H12 H     0.549193560    -0.011393040     0.619199360 
H13 H     0.544870940     0.251251280     0.629890020 
O1 O     0.641009700    -0.233494670     0.589469040 

#END
data_-244.923_guan_phenan_2_1097138 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 7.1683
_cell_length_b 17.7592
_cell_length_c 12.5034
_cell_angle_alpha 66.4786
_cell_angle_beta 60.5231
_cell_angle_gamma 115.7644
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     1.389220920     0.726346740     0.633828810 
N2 N     0.703281040     0.498349780     1.020755110 
C1 C     1.717047680     0.834563520     0.448877710 
C2 C     1.900581770     0.831908660     0.337137150 
C3 C     1.728991460     0.709232880     0.425365540 
C4 C     1.185668490     0.460440560     0.722988250 
C5 C     0.848477090     0.348339140     0.913250160 
C6 C     0.325351530     0.242653870     1.217232260 
C7 C     0.173145720     0.257730340     1.311573720 
C8 C     0.375335660     0.388606230     1.205692850 
C9 C     0.855711210     0.484949170     0.926472080 
C10 C     1.217926910     0.605340390     0.722161340 
C11 C     1.378378730     0.591131110     0.622906620 
C12 C     0.675411710     0.357453710     1.019497770 
H1 H     1.846163570     0.930126260     0.382874080 
H2 H     2.169898550     0.924739590     0.185722440 
H3 H     1.858844070     0.701807250     0.345509950 
H4 H     1.315483790     0.452977520     0.643224230 
H5 H     0.703797100     0.249640260     0.988339900 
H6 H     0.180524300     0.143904260     1.292418630 
H7 H    -0.095103670     0.171891720     1.463354370 
H8 H     0.261761210     0.403505470     1.276590360 
N3 N     0.611594080     0.330886470     0.709132650 
N4 N     0.486011930     0.168857490     0.750131640 
N5 N     0.057348440     0.099249350     1.015970920 
N6 N     0.031680420     0.268799140     1.088968860 
N7 N    -0.329709260     0.055601310     1.271208220 
C13 C     0.370873550     0.196823990     0.831904880 
C14 C    -0.019279850     0.139166880     1.082922870 
C15 C     0.209885630     0.272544910     0.966598180 
C16 C     0.555186760     0.382260520     0.764120960 
C17 C    -0.288385180     0.136537100     1.268472670 
H9 H     0.857686320     0.401133270     0.570625820 
H10 H     0.645772700     0.232656270     0.607780130 
H11 H     0.289452400     0.071213170     0.839572050 
H12 H     0.124194250     0.348919840     1.050572800 
H13 H    -0.483597400     0.104341940     1.393435260 
O1 O     0.782549040     0.502419490     0.646866680 

#END
data_-244.731_guan_phenan_2_1012830 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 7.8555
_cell_length_b 10.8763
_cell_length_c 34.924
_cell_angle_alpha 78.5183
_cell_angle_beta 158.1258
_cell_angle_gamma 116.436
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.792520010     0.564453400     0.754578000 
N2 N     0.835346430     0.650490020     0.682805700 
C1 C     0.769674140     0.521746140     0.788375390 
C2 C     0.578049240     0.362874980     0.769522200 
C3 C     0.403355230     0.244303810     0.712406740 
C4 C     0.244488420     0.166905070     0.614835240 
C5 C     0.265234110     0.209156070     0.579487130 
C6 C     0.490510270     0.420313280     0.565434410 
C7 C     0.685810840     0.579542960     0.588754790 
C8 C     0.853554210     0.690052560     0.648011360 
C9 C     0.644648110     0.494646620     0.660484530 
C10 C     0.621985380     0.449206360     0.698374050 
C11 C     0.420945760     0.284941330     0.674813550 
C12 C     0.464530730     0.373077270     0.601193470 
H1 H     0.910467730     0.617905290     0.833327240 
H2 H     0.570321740     0.336176190     0.799619100 
H3 H     0.252399530     0.120051810     0.695821780 
H4 H     0.093176050     0.042613910     0.598168380 
H5 H     0.131006250     0.119302130     0.534087110 
H6 H     0.356232590     0.330475760     0.520006120 
H7 H     0.711820310     0.620287040     0.562642140 
H8 H     1.009496220     0.816659830     0.667568740 
N3 N     0.600656670     0.133860500    -0.021959630 
N4 N     0.971530560     0.411766620     0.047502810 
N5 N     0.744145170     0.300167370    -0.054831130 
N6 N     0.235862780    -0.087816930    -0.176412050 
N7 N     0.515608700     0.156986440    -0.155106540 
C13 C     0.760015440     0.279514120    -0.013725810 
C14 C     0.562275760     0.165223110    -0.106699490 
C15 C     0.389465100     0.013977730    -0.119094410 
C16 C     0.398777300    -0.013696540    -0.075592200 
C17 C     0.320872710     0.004867920    -0.195394860 
H9 H     0.659674690     0.131331540     0.018948540 
H10 H     0.751308070     0.371906740     0.029844210 
H11 H     1.015983000     0.505179170     0.038287180 
H12 H     0.091030680    -0.206547270    -0.198917360 
H13 H     0.233112900    -0.044985430    -0.239433570 
O1 O     0.269601800    -0.137103670    -0.078617250 

#END
data_-244.476_guan_phenan_2_1181174 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 8.0269
_cell_length_b 51.003
_cell_length_c 16.0342
_cell_angle_alpha 133.4655
_cell_angle_beta 119.697
_cell_angle_gamma 106.1898
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N    -0.246586520     0.835944670     0.028778200 
N2 N     0.610068800     0.927054130     0.466111600 
C1 C    -0.649045550     0.793838910    -0.174841680 
C2 C    -0.247860520     0.899970620     0.192428360 
C3 C     0.617107350     1.057472830     0.801622910 
C4 C     1.971403170     1.269540800     1.667114970 
C5 C     2.392330180     1.314287500     1.882000130 
C6 C     2.369666300     1.243820070     1.696292620 
C7 C     1.909374340     1.129389900     1.293707920 
C8 C     1.026644310     0.972063080     0.680617920 
C9 C     1.054370540     1.038202940     0.856468970 
C10 C     0.601987390     0.990087430     0.625523080 
C11 C     1.070672420     1.107292740     1.037195090 
C12 C     1.948371050     1.200615490     1.485259320 
H1 H    -1.331886980     0.668703950    -0.657834280 
H2 H    -0.617527250     0.857297120    -0.004825410 
H3 H     0.956443350     1.144054060     1.104042840 
H4 H     2.310531020     1.356071340     1.969415860 
H5 H     3.074137070     1.437249710     2.359220150 
H6 H     3.051580810     1.366785510     2.173557810 
H7 H     2.211217150     1.158151780     1.439281440 
H8 H     0.646835990     0.879151240     0.352315210 
N3 N     1.873923940     0.632806870     1.553557610 
N4 N     3.163573750     0.887202820     2.526231420 
N5 N     2.950600920     0.787412090     2.219964000 
N6 N     1.193539230     0.415318080     0.840320080 
N7 N     2.500902340     0.643139610     1.749198400 
C13 C     2.673870250     0.769699530     2.102719240 
C14 C     2.370607780     0.655792240     1.743951280 
C15 C     1.561014870     0.515407510     1.182654830 
C16 C     1.237228840     0.491917910     1.038321350 
C17 C     1.787003950     0.498631730     1.204434630 
H9 H     1.661892270     0.619862910     1.471601280 
H10 H     3.267471350     0.930428680     2.617809600 
H11 H     3.804762800     0.996696350     2.954279560 
H12 H     0.603373420     0.303374000     0.408160320 
H13 H     1.665485980     0.447973780     1.048858260 
O1 O     0.540558850     0.374968180     0.566210180 

#END
data_-244.447_guan_phenan_14_149519 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 6.0335
_cell_length_b 9.219
_cell_length_c 32.6744
_cell_angle_alpha 90.0
_cell_angle_beta 58.4134
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.855198240     0.395755320     0.113298910 
N2 N     1.047832820     0.668382860     0.112128900 
C1 C     0.762191240     0.265932860     0.113589350 
C2 C     0.637238710     0.230663960     0.088637890 
C3 C     0.609843550     0.337670730     0.062253800 
C4 C     0.683850030     0.593953180     0.034236070 
C5 C     0.778444030     0.728011670     0.033677570 
C6 C     1.003877030     0.895611500     0.059891760 
C7 C     1.122331600     0.917246230     0.085699510 
C8 C     1.139024820     0.799182590     0.111295310 
C9 C     0.931187570     0.645701590     0.086947880 
C10 C     0.829449560     0.501745200     0.087567890 
C11 C     0.706542570     0.477933040     0.061022070 
C12 C     0.903859930     0.757368440     0.059841390 
H1 H     0.786598010     0.183472980     0.134719040 
H2 H     0.565338060     0.121695750     0.090444020 
H3 H     0.515139130     0.315964040     0.042363930 
H4 H     0.589039240     0.572309070     0.014367500 
H5 H     0.760705010     0.815471420     0.013348440 
H6 H     0.986160820     0.983137000     0.039567520 
H7 H     1.201453390     1.021911670     0.086576860 
H8 H     1.231586870     0.813179770     0.132013870 
N3 N     0.470429170     0.643202770     0.230329370 
N4 N     0.563677590     0.530952640     0.283801150 
N5 N     0.365408910     0.396029230     0.251772510 
N6 N     0.140213880     0.478433050     0.174255790 
N7 N     0.142001310     0.285170910     0.215616060 
C13 C     0.464733810     0.518477630     0.254265670 
C14 C     0.260460450     0.399424960     0.223541170 
C15 C     0.261944840     0.521013180     0.198082880 
C16 C     0.369731410     0.656990730     0.199786320 
C17 C     0.073469340     0.336676170     0.186213440 
H9 H     0.537334510     0.736887930     0.236061340 
H10 H     0.721437280     0.594896330     0.272240300 
H11 H     0.578886940     0.433669270     0.296348310 
H12 H     0.108709400     0.541196730     0.152534630 
H13 H    -0.025719080     0.275416060     0.172355640 
O1 O     0.381109000     0.771517820     0.180095830 

#END
data_-244.412_guan_phenan_2_794064 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 11.8841
_cell_length_b 30.1329
_cell_length_c 46.893
_cell_angle_alpha 11.2077
_cell_angle_beta 14.1366
_cell_angle_gamma 16.9388
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.917253380    -0.371469950     0.532758460 
N2 N     0.443220960     0.064540100     0.376213840 
C1 C     1.144692290    -0.579611240     0.606927420 
C2 C     1.370414490    -0.674723190     0.586850680 
C3 C     1.354190490    -0.543411650     0.483683150 
C4 C     1.084895430    -0.174954880     0.293234020 
C5 C     0.851656140     0.039371110     0.216332100 
C6 C     0.383798750     0.348782760     0.163442510 
C7 C     0.176550850     0.423298250     0.192640380 
C8 C     0.217550120     0.273234850     0.300705820 
C9 C     0.648225540    -0.010655140     0.348599540 
C10 C     0.898510820    -0.240894160     0.431271060 
C11 C     1.114450780    -0.320012290     0.402106890 
C12 C     0.628424620     0.126813620     0.241732460 
H1 H     1.151988700    -0.679512190     0.687682270 
H2 H     1.551076160    -0.847050130     0.651630030 
H3 H     1.522847680    -0.608807970     0.463979250 
H4 H     1.253261440    -0.240335820     0.273586950 
H5 H     0.830258330     0.148465610     0.134061450 
H6 H     0.362245030     0.457968310     0.081153300 
H7 H    -0.014144930     0.592674370     0.134701210 
H8 H     0.057110910     0.327595370     0.326081630 
N3 N     0.669835080     0.222829800     0.957260860 
N4 N     0.415437010     0.229237860     1.063088060 
N5 N     0.208168930     0.548013610     0.884539760 
N6 N     0.465018160     0.690710450     0.660590570 
N7 N     0.074589910     0.862218650     0.685256130 
C13 C     0.418802020     0.340970810     0.965935630 
C14 C     0.258235890     0.645436270     0.784716000 
C15 C     0.502556820     0.535149920     0.771574360 
C16 C     0.736700180     0.308016810     0.859263660 
C17 C     0.205611190     0.882163900     0.613788360 
H9 H     0.846902720     0.067315260     1.015807840 
H10 H     0.402174980     0.057749460     1.173966020 
H11 H     0.189437040     0.313119990     1.079605710 
H12 H     0.604191370     0.664785210     0.623141970 
H13 H     0.121333060     1.032787100     0.526464360 
O1 O     0.966003230     0.193016900     0.857654530 

#END
data_-244.327_guan_phenan_2_324678 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 8.903
_cell_length_b 10.132
_cell_length_c 14.8756
_cell_angle_alpha 137.9444
_cell_angle_beta 62.8785
_cell_angle_gamma 102.6815
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.216817850     0.309514260     1.262907770 
N2 N     0.453886030     0.460609660     1.173277010 
C1 C     0.104789960     0.236132200     1.305270920 
C2 C     0.150527750     0.099219140     1.294764600 
C3 C     0.322415300     0.037577270     1.236877310 
C4 C     0.627158010     0.053922500     1.128993160 
C5 C     0.743725620     0.128128480     1.084857310 
C6 C     0.807560550     0.346665860     1.053345640 
C7 C     0.747548790     0.479715020     1.069019920 
C8 C     0.568487560     0.531703530     1.129978500 
C9 C     0.511077690     0.329949690     1.158521630 
C10 C     0.385897940     0.250151200     1.205840140 
C11 C     0.446276190     0.112456640     1.190248810 
C12 C     0.689254760     0.267237290     1.098317630 
H1 H    -0.030123260     0.287465140     1.350626940 
H2 H     0.051754190     0.044877780     1.331674920 
H3 H     0.364301650    -0.067653940     1.226522580 
H4 H     0.669088250    -0.051378090     1.118544620 
H5 H     0.880517370     0.083287920     1.038526360 
H6 H     0.944404040     0.301847580     1.006980370 
H7 H     0.834552680     0.543821330     1.035730840 
H8 H     0.517444290     0.636498410     1.143620840 
N3 N     0.556651720     0.656064340     0.482842970 
N4 N     0.366828780     0.884860230     0.561974360 
N5 N     0.660870830     0.863505960     0.453203040 
N6 N     1.028051750     0.582218330     0.318110550 
N7 N     0.973349470     0.819487910     0.346449150 
C13 C     0.535057200     0.800438830     0.495052480 
C14 C     0.820885960     0.776847090     0.396424130 
C15 C     0.851764820     0.629199440     0.379691890 
C16 C     0.717266340     0.555764190     0.423799710 
C17 C     1.092964790     0.700858620     0.301040760 
H9 H     0.452685090     0.622416140     0.525525660 
H10 H     0.281205390     0.792835000     0.538934220 
H11 H     0.359218330     0.973413470     0.553813960 
H12 H     1.093327940     0.480210940     0.291862700 
H13 H     1.229680840     0.694774700     0.254466760 
O1 O     0.725431790     0.430400250     0.417581210 

#END
data_-244.305_guan_phenan_33_249333 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,1/2+z
3 1/2-x,1/2+y,1/2+z
4 1/2+x,1/2-y,+z
_cell_length_a 14.6024
_cell_length_b 11.4359
_cell_length_c 9.5417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.107290430     0.699557980     0.588159100 
N2 N     0.032491890     0.641462700     0.331693210 
C1 C     0.142219320     0.727195380     0.711354890 
C2 C     0.092142090     0.726879500     0.837462870 
C3 C     0.001150590     0.695909260     0.832656160 
C4 C    -0.133190100     0.632850370     0.691144100 
C5 C    -0.169980820     0.604340390     0.565046010 
C6 C    -0.151933650     0.577112070     0.307796750 
C7 C    -0.096227790     0.580593600     0.191577980 
C8 C    -0.004079430     0.613543130     0.209710670 
C9 C    -0.021427990     0.638380080     0.446566380 
C10 C     0.018065880     0.669064740     0.581991980 
C11 C    -0.038805220     0.665797050     0.703001250 
C12 C    -0.115478880     0.606309900     0.440139770 
H1 H     0.214266910     0.751279600     0.712060270 
H2 H     0.125163790     0.750580480     0.935108090 
H3 H    -0.040393360     0.694231250     0.926951440 
H4 H    -0.174760310     0.631228020     0.785391500 
H5 H    -0.241479450     0.579484230     0.556648130 
H6 H    -0.223449300     0.552255170     0.299334860 
H7 H    -0.121816840     0.558735300     0.088252260 
H8 H     0.041507930     0.617076750     0.119670860 
N3 N     0.954139200    -0.024948970     0.537893660 
N4 N     1.089982720     0.024437800     0.422328140 
N5 N     0.967372120    -0.044284050     0.291358970 
N6 N     0.746402690    -0.146042800     0.377638980 
N7 N     0.830825540    -0.126420750     0.183086460 
C13 C     1.000905940    -0.015062490     0.412667150 
C14 C     0.880508140    -0.088325880     0.296211290 
C15 C     0.829247860    -0.099574720     0.418605620 
C16 C     0.863535190    -0.068139030     0.553451910 
C17 C     0.751741470    -0.159952340     0.235999070 
H9 H     0.986247230    -0.006864780     0.629294470 
H10 H     1.103042020     0.086994920     0.494283020 
H11 H     1.117299850     0.041220430     0.327175490 
H12 H     0.693413570    -0.165280510     0.441289440 
H13 H     0.695499770    -0.195215430     0.175895460 
O1 O     0.827105660    -0.074709830     0.668187820 

#END
data_-244.135_guan_phenan_14_34234 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 18.5802
_cell_length_b 14.9997
_cell_length_c 9.5438
_cell_angle_alpha 90.0
_cell_angle_beta 36.9602
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.713164050     0.284617870     0.329963140 
N2 N     0.861956750     0.389136910     0.260884210 
C1 C     0.642665720     0.233929940     0.362386350 
C2 C     0.651968740     0.140451670     0.339936320 
C3 C     0.739783280     0.098996090     0.280604320 
C4 C     0.910226370     0.111569340     0.182131140 
C5 C     0.983420510     0.162955630     0.148056990 
C6 C     1.044335060     0.312897050     0.139060430 
C7 C     1.026694010     0.403675670     0.165934600 
C8 C     0.933688380     0.438369720     0.227308270 
C9 C     0.878302080     0.299960900     0.235097940 
C10 C     0.799739210     0.244769130     0.271557710 
C11 C     0.817026330     0.150795470     0.244342430 
C12 C     0.969562400     0.257919880     0.173431510 
H1 H     0.574059640     0.268454220     0.409180560 
H2 H     0.591032540     0.102863550     0.369065980 
H3 H     0.750600980     0.027107990     0.261289470 
H4 H     0.921111140     0.039699150     0.162674570 
H5 H     1.053854610     0.132921960     0.100932750 
H6 H     1.114809910     0.282891080     0.091897390 
H7 H     1.082337760     0.447989480     0.140995710 
H8 H     0.917725420     0.509878880     0.249658330 
N3 N     0.356998390     0.296650720     0.405652200 
N4 N     0.389558990     0.161407330     0.470834060 
N5 N     0.361273780     0.289503700     0.647089640 
N6 N     0.318544400     0.516184650     0.628793690 
N7 N     0.338000750     0.434712190     0.793864030 
C13 C     0.367140760     0.251665330     0.515554130 
C14 C     0.345552050     0.379750320     0.667602060 
C15 C     0.333516210     0.429025300     0.563400150 
C16 C     0.339066490     0.389893290     0.418671700 
C17 C     0.322048510     0.515043240     0.766092120 
H9 H     0.369264780     0.263788120     0.295139700 
H10 H     0.348524150     0.127964840     0.456415920 
H11 H     0.383803210     0.130765080     0.573791020 
H12 H     0.307425280     0.569162130     0.582435690 
H13 H     0.312393790     0.575190710     0.842243240 
O1 O     0.331648200     0.424730320     0.315085670 

#END
data_-243.788_guan_phenan_15_3405467 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 21.067
_cell_length_b 9.4529
_cell_length_c 17.2495
_cell_angle_alpha 90.0
_cell_angle_beta 112.6539
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.587094000     0.875953890     0.553419700 
N2 N     0.545595080     0.676443760     0.426766280 
C1 C     0.606334310     0.971155510     0.614063840 
C2 C     0.567287320     1.008342390     0.661355280 
C3 C     0.505198690     0.941675830     0.643555730 
C4 C     0.418603570     0.766260440     0.557632980 
C5 C     0.398181890     0.668218260     0.495337610 
C6 C     0.420251650     0.533474400     0.384322850 
C7 C     0.462775580     0.505918940     0.342384110 
C8 C     0.525170060     0.580898660     0.366339570 
C9 C     0.504347340     0.704458420     0.468423580 
C10 C     0.526257300     0.809815850     0.535298720 
C11 C     0.482757210     0.839280530     0.579167820 
C12 C     0.440208460     0.634851720     0.449333300 
H1 H     0.655618710     1.022126080     0.626795200 
H2 H     0.586187510     1.087564350     0.710335490 
H3 H     0.473206590     0.966523640     0.678237310 
H4 H     0.386585680     0.791136910     0.592264150 
H5 H     0.349558460     0.613266330     0.479274520 
H6 H     0.371617170     0.478487770     0.368223810 
H7 H     0.449163210     0.428765580     0.292129520 
H8 H     0.559774370     0.561284180     0.334257050 
N3 N     0.269971790     0.355069480     0.724652860 
N4 N     0.208087050     0.243421700     0.794407250 
N5 N     0.243134450     0.110792200     0.704806460 
N6 N     0.330510830     0.192764340     0.572404360 
N7 N     0.281792310     0.001450950     0.602887460 
C13 C     0.241755840     0.231684260     0.740108580 
C14 C     0.274498720     0.114303470     0.648753520 
C15 C     0.304546050     0.234671060     0.630881360 
C16 C     0.304267780     0.368954550     0.668503530 
C17 C     0.315257400     0.052574660     0.558419150 
H9 H     0.263588780     0.447108720     0.750684080 
H10 H     0.228743150     0.309465280     0.843805010 
H11 H     0.194843390     0.148005710     0.809903160 
H12 H     0.355558740     0.254953020     0.546028720 
H13 H     0.329870790    -0.007863720     0.514791760 
O1 O     0.327519600     0.482191460     0.657982510 

#END
data_-243.709_guan_phenan_61_274956 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,+z
7 +x,1/2-y,1/2+z
8 1/2+x,+y,1/2-z
_cell_length_a 21.6127
_cell_length_b 9.1329
_cell_length_c 15.6073
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.289666460     0.001798230     0.479354450 
N2 N     0.333784840     0.179908110     0.350131800 
C1 C     0.268002670    -0.082830640     0.540984920 
C2 C     0.204937010    -0.093550720     0.562732620 
C3 C     0.163081860    -0.010994580     0.517147500 
C4 C     0.143089460     0.169601890     0.401029580 
C5 C     0.164780060     0.257225250     0.337523040 
C6 C     0.253375390     0.353580510     0.252748190 
C7 C     0.316048290     0.355012720     0.237311700 
C8 C     0.354298810     0.265531020     0.288217350 
C9 C     0.272379160     0.177469150     0.365925870 
C10 C     0.249081970     0.083427610     0.434165120 
C11 C     0.184362700     0.080923310     0.450770630 
C12 C     0.229582080     0.263522980     0.318357510 
H1 H     0.302104600    -0.146869960     0.575930010 
H2 H     0.190310290    -0.165336740     0.614161780 
H3 H     0.113965620    -0.015434370     0.531388400 
H4 H     0.093982050     0.165252580     0.415283590 
H5 H     0.133335400     0.324163370     0.300071350 
H6 H     0.221943730     0.420570300     0.215273100 
H7 H     0.335991460     0.422770800     0.187459280 
H8 H     0.404014130     0.264509360     0.277444430 
N3 N     0.525540840     0.392912270     0.784899630 
N4 N     0.459483290     0.500292490     0.684208070 
N5 N     0.490454240     0.637116800     0.801922230 
N6 N     0.582055530     0.560788400     0.983577100 
N7 N     0.526537690     0.749829330     0.934126590 
C13 C     0.492915740     0.515170440     0.759035630 
C14 C     0.522590120     0.635727290     0.877249120 
C15 C     0.556890930     0.516763260     0.906658470 
C16 C     0.560865730     0.381444980     0.861319680 
C17 C     0.562202160     0.700775820     0.996270220 
H9 H     0.522563600     0.298931350     0.750854370 
H10 H     0.478795160     0.440205910     0.636942260 
H11 H     0.441931460     0.596828740     0.664042770 
H12 H     0.609491740     0.499989930     1.021808320 
H13 H     0.575226240     0.762646370     1.052400990 
O1 O     0.588172820     0.268977520     0.879867960 

#END
data_-243.634_guan_phenan_19_7053 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 24.6226
_cell_length_b 9.4223
_cell_length_c 6.9161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.701861640     0.592047770     0.609907040 
N2 N     0.646023060     0.843497910     0.559990010 
C1 C     0.729021450     0.472524930     0.633372700 
C2 C     0.785956490     0.461582320     0.621542030 
C3 C     0.815319580     0.582590590     0.583218580 
C4 C     0.816098030     0.842125100     0.516779440 
C5 C     0.788645920     0.965742530     0.492144730 
C6 C     0.701044360     1.097141440     0.480916210 
C7 C     0.645330460     1.094820060     0.495802130 
C8 C     0.619800550     0.964361790     0.535768410 
C9 C     0.700705500     0.844323560     0.545784690 
C10 C     0.730191500     0.711545680     0.572129030 
C11 C     0.787818850     0.712505780     0.557130490 
C12 C     0.730588680     0.970205620     0.505876680 
H1 H     0.704791100     0.378596920     0.663546050 
H2 H     0.805671230     0.359911760     0.642345660 
H3 H     0.859286420     0.579771540     0.572770390 
H4 H     0.860055730     0.839329510     0.506213660 
H5 H     0.810251970     1.063565810     0.461582290 
H6 H     0.722635380     1.195017970     0.450322690 
H7 H     0.621289720     1.190206550     0.477543230 
H8 H     0.575810800     0.959394990     0.548277180 
N3 N     0.479391830     0.303174130     0.329347100 
N4 N     0.535657220     0.188724470     0.105933250 
N5 N     0.496830410     0.056337520     0.352794030 
N6 N     0.413347360     0.141508790     0.750719760 
N7 N     0.454153610    -0.052687170     0.633380350 
C13 C     0.502672630     0.178049690     0.266599100 
C14 C     0.465766420     0.060788320     0.516245530 
C15 C     0.440713200     0.182955290     0.586362530 
C16 C     0.446020090     0.318197480     0.495542970 
C17 C     0.422991850    -0.000183290     0.770709360 
H9 H     0.488166150     0.395510280     0.261592790 
H10 H     0.523961260     0.256966540     0.001351330 
H11 H     0.546906390     0.092525730     0.055436710 
H12 H     0.390947010     0.204907580     0.836859220 
H13 H     0.406160330    -0.060636610     0.889041810 
O1 O     0.427177270     0.432934860     0.541981580 

#END
data_-243.511_guan_phenan_61_197446 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,+z
7 +x,1/2-y,1/2+z
8 1/2+x,+y,1/2-z
_cell_length_a 22.3388
_cell_length_b 15.6197
_cell_length_c 9.617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.429492060     0.368669600     0.248016870 
N2 N     0.345839380     0.306559290     0.433721030 
C1 C     0.469689690     0.397561040     0.159063010 
C2 C     0.509947860     0.344932120     0.085677360 
C3 C     0.507442850     0.257960520     0.107586910 
C4 C     0.460326340     0.134558900     0.229225690 
C5 C     0.419218650     0.104021050     0.320575600 
C6 C     0.336284370     0.130866200     0.487701640 
C7 C     0.299284400     0.188521010     0.553369130 
C8 C     0.306058190     0.276075200     0.522282500 
C9 C     0.382414500     0.250659690     0.368563900 
C10 C     0.426590220     0.283455790     0.270510420 
C11 C     0.465119560     0.224503010     0.201889730 
C12 C     0.379403670     0.160848510     0.392268610 
H1 H     0.470656970     0.466532090     0.143748010 
H2 H     0.541870300     0.372946850     0.014085210 
H3 H     0.537473920     0.214664170     0.053505560 
H4 H     0.490368650     0.091255740     0.175230500 
H5 H     0.415786440     0.035870850     0.340913390 
H6 H     0.332836360     0.062705160     0.508094610 
H7 H     0.265641580     0.167859210     0.627272540 
H8 H     0.277428020     0.323076030     0.572676230 
N3 N     0.155994080     0.294351140     0.715788700 
N4 N     0.174257820     0.163676110     0.826673320 
N5 N     0.157359240     0.284389910     0.961738050 
N6 N     0.132272460     0.502233760     0.884530210 
N7 N     0.142740370     0.421899840     1.075896020 
C13 C     0.161409170     0.249754470     0.839128990 
C14 C     0.147908380     0.370760290     0.960581740 
C15 C     0.141460430     0.419403000     0.840093300 
C16 C     0.145424660     0.383695550     0.703861130 
C17 C     0.133527030     0.499373190     1.026156120 
H9 H     0.163042250     0.264214380     0.624142230 
H10 H     0.154623180     0.131810480     0.747522610 
H11 H     0.171585000     0.132952580     0.918884000 
H12 H     0.126002060     0.553687010     0.822974800 
H13 H     0.127408760     0.556134860     1.088653390 
O1 O     0.141513680     0.418468060     0.590691290 

#END
data_-243.297_guan_phenan_2_802435 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 10.1818
_cell_length_b 10.0735
_cell_length_c 45.1625
_cell_angle_alpha 107.9133
_cell_angle_beta 57.8663
_cell_angle_gamma 51.3243
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N    -1.001277010     1.386948430     0.686707950 
N2 N    -1.045377900     1.500526760     0.758801430 
C1 C    -0.977830160     1.331864670     0.651838420 
C2 C    -0.726245420     1.200057410     0.589993250 
C3 C    -0.489388220     1.123339590     0.564025100 
C4 C    -0.267043020     1.104313050     0.575464080 
C5 C    -0.289046390     1.160467290     0.610966820 
C6 C    -0.580214980     1.356309930     0.711663200 
C7 C    -0.837442040     1.486208820     0.771575800 
C8 C    -1.063981890     1.553914410     0.792833060 
C9 C    -0.794022570     1.373015330     0.699907860 
C10 C    -0.770780280     1.313086240     0.661847290 
C11 C    -0.505830050     1.178719160     0.599789560 
C12 C    -0.551370410     1.295451710     0.673739700 
H1 H    -1.168079480     1.394573400     0.673508980 
H2 H    -0.721914460     1.161179740     0.563998920 
H3 H    -0.289940530     1.020765510     0.516454660 
H4 H    -0.068000420     1.002137380     0.527975950 
H5 H    -0.107766690     1.103838200     0.592350470 
H6 H    -0.399031000     1.299783240     0.693078930 
H7 H    -0.867458990     1.536139020     0.802039190 
H8 H    -1.269870700     1.656833740     0.840017560 
N3 N    -1.063094930     1.929549850     0.975074680 
N4 N    -1.531857510     2.115236440     1.048766640 
N5 N    -1.183042450     1.887424950     0.944731900 
N6 N    -0.506175230     1.613132600     0.817602970 
N7 N    -0.828815440     1.689654330     0.842583300 
C13 C    -1.243398270     1.963518620     0.985470550 
C14 C    -0.931291300     1.777336700     0.890984210 
C15 C    -0.732933020     1.730850770     0.876310970 
C16 C    -0.789048890     1.809228830     0.919324010 
C17 C    -0.576559410     1.594059420     0.800087380 
H9 H    -1.164537260     2.032079970     1.016133550 
H10 H    -1.310545750     1.913074540     1.028896960 
H11 H    -1.579480580     2.064501800     1.040508420 
H12 H    -0.326615660     1.554652890     0.793352060 
H13 H    -0.434777480     1.507851150     0.755410600 
O1 O    -0.646260060     1.790269790     0.914484190 

#END
data_-243.263_guan_phenan_14_201944 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 11.2402
_cell_length_b 14.9653
_cell_length_c 9.5695
_cell_angle_alpha 90.0
_cell_angle_beta 87.5173
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.212306540     0.285085110     0.899827870 
N2 N     0.358366850     0.392545040     1.052462270 
C1 C     0.143134050     0.233000700     0.827208060 
C2 C     0.154997450     0.139459150     0.819048130 
C3 C     0.244016880     0.099484630     0.891007790 
C4 C     0.414256760     0.115162060     1.046966920 
C5 C     0.486107000     0.167994770     1.121958440 
C6 C     0.542975860     0.319404650     1.203271630 
C7 C     0.522841210     0.410089510     1.203417910 
C8 C     0.428812350     0.443192620     1.125777480 
C9 C     0.377161160     0.303443460     1.051462320 
C10 C     0.300041060     0.246698850     0.970857030 
C11 C     0.319908930     0.152804740     0.969854760 
C12 C     0.469643960     0.262943760     1.126235490 
H1 H     0.073528630     0.266373280     0.771419900 
H2 H     0.095037110     0.100679280     0.757355850 
H3 H     0.256807360     0.027614170     0.888151860 
H4 H     0.427113190     0.043310530     1.044069660 
H5 H     0.557418910     0.139156710     1.180126940 
H6 H     0.614327670     0.290595050     1.261462130 
H7 H     0.577320050     0.455515920     1.261370570 
H8 H     0.410883140     0.514590570     1.123987750 
N3 N     0.141359700     0.796167400     0.553693170 
N4 N     0.107986320     0.660596710     0.440299030 
N5 N     0.138437350     0.788513150     0.306429600 
N6 N     0.183216120     1.015593710     0.387878520 
N7 N     0.163986740     0.933659790     0.194308800 
C13 C     0.131441350     0.750885770     0.429006960 
C14 C     0.155152040     0.878865130     0.309180740 
C15 C     0.167021860     0.928427420     0.431013880 
C16 C     0.160246960     0.889530030     0.567237470 
C17 C     0.180532160     1.014174230     0.245631330 
H9 H     0.128235370     0.763505490     0.645612760 
H10 H     0.147952160     0.626964470     0.516798550 
H11 H     0.113876290     0.629649180     0.346451760 
H12 H     0.194557740     1.068748820     0.450603550 
H13 H     0.191217310     1.074263830     0.183893620 
O1 O     0.167392350     0.924636740     0.681569730 

#END
data_-243.261_guan_phenan_14_85601 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 12.1782
_cell_length_b 15.5775
_cell_length_c 9.6432
_cell_angle_alpha 90.0
_cell_angle_beta 113.9954
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.142234800     0.696055440    -0.081841150 
N2 N     0.315099590     0.640332920    -0.177707940 
C1 C     0.060027670     0.723496410    -0.035909970 
C2 C     0.044773470     0.810159710    -0.006164470 
C3 C     0.119916720     0.870256610    -0.026017330 
C4 C     0.290010900     0.903020210    -0.097622640 
C5 C     0.375039670     0.875624060    -0.144686030 
C6 C     0.473732700     0.756211900    -0.222086270 
C7 C     0.480122830     0.669822840    -0.247569140 
C8 C     0.398135630     0.614502470    -0.223449340 
C9 C     0.307858720     0.724946190    -0.152318130 
C10 C     0.216584390     0.754371110    -0.101685590 
C11 C     0.209015080     0.843552100    -0.074949700 
C12 C     0.386223150     0.786438180    -0.173132530 
H1 H     0.001877610     0.674625850    -0.021214810 
H2 H    -0.024661150     0.828265000     0.031335970 
H3 H     0.111770380     0.937866050    -0.004696690 
H4 H     0.281935550     0.970617610    -0.076232440 
H5 H     0.436149480     0.920911950    -0.161643930 
H6 H     0.534889740     0.801482890    -0.239050940 
H7 H     0.546131220     0.644266320    -0.285236480 
H8 H     0.401147000     0.545911280    -0.242669300 
N3 N     0.757076290     0.794907670     0.733800000 
N4 N     0.738997010     0.662592560     0.611822060 
N5 N     0.768913010     0.785194260     0.494927870 
N6 N     0.794301570     1.005425340     0.587905950 
N7 N     0.791533350     0.924348200     0.394706900 
C13 C     0.757279270     0.749963100     0.610475850 
C14 C     0.779620660     0.872509460     0.502733050 
C15 C     0.781260120     0.921605520     0.624306950 
C16 C     0.769143580     0.885288850     0.753180970 
C17 C     0.799910590     1.002663790     0.449657600 
H9 H     0.740741170     0.763937580     0.815660110 
H10 H     0.776861170     0.632474530     0.713050110 
H11 H     0.752339630     0.632255530     0.527388850 
H12 H     0.798587530     1.057408030     0.652152420 
H13 H     0.810267500     1.060136100     0.393522680 
O1 O     0.767421090     0.920276240     0.865407620 

#END
data_-243.230_guan_phenan_2_605511 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 17.5873
_cell_length_b 13.1514
_cell_length_c 7.0101
_cell_angle_alpha 63.1797
_cell_angle_beta 57.3354
_cell_angle_gamma 34.8421
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.653949370     0.230024890     0.787176260 
N2 N     0.440213410     0.596774630     0.751031860 
C1 C     0.755212640     0.054786200     0.805016160 
C2 C     0.738166420    -0.042989100     0.854336680 
C3 C     0.608172370     0.049069770     0.886037920 
C4 C     0.359357910     0.339915720     0.899799140 
C5 C     0.254250460     0.520233800     0.882137920 
C6 C     0.170750140     0.799605080     0.812246440 
C7 C     0.199897550     0.880626170     0.763345920 
C8 C     0.337156090     0.772144430     0.734278920 
C9 C     0.413007600     0.515613170     0.798914580 
C10 C     0.525865610     0.321953110     0.818017260 
C11 C     0.497106770     0.236522870     0.868489210 
C12 C     0.278028140     0.612410040     0.831554520 
H1 H     0.856829610    -0.014521430     0.779084190 
H2 H     0.825933500    -0.186962780     0.866575360 
H3 H     0.589659810    -0.020120290     0.924265050 
H4 H     0.340789570     0.270785010     0.938150150 
H5 H     0.150150430     0.597875070     0.906046550 
H6 H     0.066599340     0.877332430     0.836169070 
H7 H     0.120180570     1.024051710     0.747196460 
H8 H     0.363155070     0.832597250     0.695561860 
N3 N     0.331131920     0.203445940     0.495962570 
N4 N     0.152018540     0.258660630     0.576058840 
N5 N     0.104023220     0.497138510     0.484761230 
N6 N     0.301360800     0.536971080     0.363678790 
N7 N     0.081147890     0.720987360     0.401124390 
C13 C     0.193839760     0.326401140     0.514015290 
C14 C     0.155371410     0.548896160     0.436492030 
C15 C     0.292952150     0.431833880     0.413739090 
C16 C     0.394559980     0.243805880     0.443813620 
C17 C     0.171601620     0.707957160     0.358576160 
H9 H     0.392808130     0.073655180     0.533636370 
H10 H     0.224008590     0.139674460     0.512318190 
H11 H     0.056302430     0.351389500     0.563790130 
H12 H     0.387198600     0.493533620     0.336914970 
H13 H     0.148409510     0.819088090     0.322621900 
O1 O     0.516627780     0.127253770     0.432144480 

#END
data_-243.032_guan_phenan_2_376157 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 14.1003
_cell_length_b 7.6489
_cell_length_c 10.128
_cell_angle_alpha 117.6276
_cell_angle_beta 74.7375
_cell_angle_gamma 127.0971
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     1.012250280     0.799374690     0.506346200 
N2 N     0.851930450     0.550304680     0.276453320 
C1 C     1.088056120     0.916964530     0.616914840 
C2 C     1.062693860     0.852539120     0.737671740 
C3 C     0.952222810     0.654949970     0.741252220 
C4 C     0.752120010     0.317167470     0.622627370 
C5 C     0.673273900     0.194768790     0.509640530 
C6 C     0.624110520     0.145363890     0.270850020 
C7 C     0.658946040     0.225319280     0.158723740 
C8 C     0.774481340     0.429767270     0.167230810 
C9 C     0.818868370     0.473697150     0.387164200 
C10 C     0.903520160     0.605224540     0.508565000 
C11 C     0.868606630     0.524377210     0.625198390 
C12 C     0.704273120     0.269170420     0.389619200 
H1 H     1.174676670     1.072293330     0.611192330 
H2 H     1.129178640     0.957258190     0.824850430 
H3 H     0.928345920     0.597830740     0.831850650 
H4 H     0.728193860     0.260087460     0.713237680 
H5 H     0.585191830     0.038044880     0.508251480 
H6 H     0.535989540    -0.011397660     0.269413500 
H7 H     0.599807020     0.134811860     0.065727120 
H8 H     0.804382640     0.496985320     0.080167450 
N3 N     0.462802310     0.440012860     0.328869260 
N4 N     0.592565500     0.610045560     0.161067160 
N5 N     0.392258060     0.326247300     0.095486680 
N6 N     0.143072110    -0.027247290     0.269082610 
N7 N     0.180621250     0.013293690     0.052350840 
C13 C     0.477590400     0.454315990     0.193116740 
C14 C     0.283819160     0.169207300     0.136383510 
C15 C     0.262572340     0.147380330     0.272028900 
C16 C     0.353732500     0.285154800     0.382052590 
C17 C     0.099351200    -0.099842780     0.135121020 
H9 H     0.534317720     0.535153240     0.395808960 
H10 H     0.644046420     0.764698020     0.246410820 
H11 H     0.596017180     0.631053480     0.068161330 
H12 H     0.098653390    -0.086804340     0.350721960 
H13 H     0.006729130    -0.237035880     0.103128980 
O1 O     0.348166640     0.282348240     0.503335690 

#END
data_-242.824_guan_phenan_14_174603 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 20.9278
_cell_length_b 24.4753
_cell_length_c 8.8775
_cell_angle_alpha 90.0
_cell_angle_beta 159.5583
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.803801470     0.868687280     1.292645360 
N2 N     1.004425490     0.790261180     1.886437020 
C1 C     0.706950680     0.905779890     1.006007960 
C2 C     0.561747100     0.893394940     0.586777820 
C3 C     0.517406950     0.839363550     0.466559170 
C4 C     0.578173390     0.741491600     0.657789960 
C5 C     0.676860820     0.702929790     0.949780380 
C6 C     0.928069440     0.678870120     1.681842790 
C7 C     1.067019680     0.695890440     2.082210240 
C8 C     1.099353580     0.752380740     2.167446160 
C9 C     0.867676810     0.774104850     1.492356200 
C10 C     0.761744470     0.815516530     1.178811380 
C11 C     0.617656030     0.798455890     0.763579380 
C12 C     0.823332060     0.718075110     1.372223620 
H1 H     0.744936680     0.948140390     1.109665330 
H2 H     0.487862310     0.925927540     0.367428280 
H3 H     0.406565040     0.827689280     0.147002500 
H4 H     0.467426030     0.729803510     0.338395870 
H5 H     0.646427010     0.659859740     0.868066120 
H6 H     0.897698500     0.635782960     1.600292180 
H7 H     1.150316390     0.666964540     2.328134300 
H8 H     1.208332310     0.766995500     2.481216140 
N3 N     0.299213730     0.008022970     0.460169680 
N4 N     0.219936520    -0.034215990     0.057932410 
N5 N     0.005263230     0.020517770    -0.296618390 
N6 N     0.002130350     0.093672700     0.038816270 
N7 N    -0.195287730     0.076466090    -0.584297470 
C13 C     0.169235060    -0.000075780     0.062396560 
C14 C    -0.032131640     0.051064120    -0.254239680 
C15 C     0.093099480     0.061267270     0.137293440 
C16 C     0.274250350     0.039559090     0.537706550 
C17 C    -0.169127640     0.101248260    -0.396550440 
H9 H     0.420507840    -0.011777280     0.722634470 
H10 H     0.350871020    -0.031881320     0.311468100 
H11 H     0.127337370    -0.034093160    -0.231073460 
H12 H     0.054217500     0.108370590     0.250880620 
H13 H    -0.270476470     0.125427040    -0.562214800 
O1 O     0.395928230     0.044496610     0.899484950 

#END
data_-242.543_guan_phenan_4_16914 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,-z
_cell_length_a 8.3593
_cell_length_b 9.571
_cell_length_c 10.3977
_cell_angle_alpha 90.0
_cell_angle_beta 107.7557
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.780419000     0.171203900     0.776712020 
N2 N     0.922963130    -0.089335280     0.778793830 
C1 C     0.713812670     0.296287070     0.776309370 
C2 C     0.807982700     0.418396220     0.821889230 
C3 C     0.980122710     0.407322730     0.869912750 
C4 C     1.234807920     0.257132230     0.920945630 
C5 C     1.304894690     0.129030350     0.922032170 
C6 C     1.271814020    -0.125873420     0.874270210 
C7 C     1.166951790    -0.237746680     0.827149730 
C8 C     0.992624310    -0.213324010     0.780358490 
C9 C     1.024462420     0.021321570     0.824736910 
C10 C     0.949194820     0.158897820     0.823647570 
C11 C     1.056248720     0.275460630     0.872085880 
C12 C     1.202340180     0.008423520     0.874281610 
H1 H     0.577540160     0.301967810     0.737789570 
H2 H     0.745088230     0.517906140     0.818726130 
H3 H     1.058323680     0.498344780     0.906119830 
H4 H     1.313028250     0.348104710     0.957226280 
H5 H     1.440143510     0.115727830     0.959155700 
H6 H     1.407089600    -0.139240870     0.911405840 
H7 H     1.215767720    -0.342399380     0.825582870 
H8 H     0.906775890    -0.299829310     0.742575380 
N3 N     0.913402810     0.621219120     0.474664670 
N4 N     1.166415020     0.504405910     0.575466290 
N5 N     0.919587250     0.375775370     0.506424810 
N6 N     0.492940000     0.464818450     0.360986210 
N7 N     0.641535480     0.270093940     0.433821000 
C13 C     0.994871430     0.495971890     0.515974540 
C14 C     0.748906060     0.381883800     0.452833200 
C15 C     0.659163040     0.504356240     0.408023810 
C16 C     0.737276960     0.638001630     0.416411070 
C17 C     0.490974100     0.323869960     0.379198790 
H9 H     0.978787390     0.711823250     0.492172140 
H10 H     1.229129660     0.574873490     0.536831740 
H11 H     1.220854710     0.409101720     0.590725290 
H12 H     0.394488380     0.528895710     0.321481360 
H13 H     0.375334530     0.264910450     0.350609160 
O1 O     0.674754980     0.752677180     0.383151020 

#END
data_-242.418_guan_phenan_2_124292 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 3.8094
_cell_length_b 23.099
_cell_length_c 10.6277
_cell_angle_alpha 83.2712
_cell_angle_beta 114.6392
_cell_angle_gamma 71.1816
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.506420610     0.177105850     0.117488620 
N2 N     0.433014940     0.262256800     0.276544390 
C1 C     0.545256500     0.135996860     0.042592550 
C2 C     0.883989470     0.075269270     0.098860100 
C3 C     1.194652190     0.057397940     0.240610150 
C4 C     1.478356170     0.084166030     0.472505540 
C5 C     1.442392670     0.126040190     0.550692140 
C6 C     1.044588630     0.231675770     0.566066830 
C7 C     0.699141090     0.289718150     0.499408450 
C8 C     0.401626070     0.302548740     0.353707730 
C9 C     0.770459160     0.205130430     0.340678270 
C10 C     0.809243440     0.160167760     0.256688670 
C11 C     1.164964410     0.099975080     0.324356150 
C12 C     1.089843610     0.187258130     0.487353580 
H1 H     0.295184370     0.151366700    -0.069098780 
H2 H     0.896203060     0.043848660     0.031220370 
H3 H     1.462112470     0.011085650     0.289082770 
H4 H     1.745940760     0.037879660     0.520979910 
H5 H     1.680589730     0.113838220     0.662802760 
H6 H     1.282779480     0.219497780     0.678205820 
H7 H     0.653775430     0.325017400     0.556427140 
H8 H     0.125565470     0.348049330     0.298283980 
N3 N     0.305497200     0.519554640     0.147143560 
N4 N     0.771932010     0.452169810     0.383560990 
N5 N     0.715692320     0.556128530     0.329438710 
N6 N     0.138527510     0.684668740     0.008557750 
N7 N     0.615362850     0.665254800     0.239281040 
C13 C     0.594945190     0.511979360     0.287148060 
C14 C     0.536164920     0.612014290     0.222477240 
C15 C     0.239530560     0.623014330     0.079605390 
C16 C     0.098333850     0.575879220     0.029255690 
C17 C     0.373277410     0.707202970     0.109818200 
H9 H     0.244243860     0.482008840     0.119950540 
H10 H     0.580849120     0.429199430     0.373205900 
H11 H     0.946278550     0.451439970     0.486466330 
H12 H    -0.068123410     0.707596940    -0.097116560 
H13 H     0.355648480     0.754989860     0.083255850 
O1 O    -0.152406560     0.578644680    -0.091735940 

#END
data_-242.386_guan_phenan_15_887227 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 18.4195
_cell_length_b 23.9384
_cell_length_c 9.6282
_cell_angle_alpha 90.0
_cell_angle_beta 47.3575
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.399746160     0.692070210     0.182440610 
N2 N     0.373522680     0.737581070     0.477313160 
C1 C     0.412214010     0.669800280     0.042122390 
C2 C     0.409300330     0.612006400     0.019011870 
C3 C     0.392427500     0.576329640     0.150367350 
C4 C     0.360972800     0.563493200     0.443739000 
C5 C     0.348125990     0.585863980     0.588668130 
C6 C     0.338841540     0.669464400     0.753717390 
C7 C     0.343276710     0.726622410     0.761590680 
C8 C     0.360905020     0.758821590     0.618906190 
C9 C     0.369329090     0.681550100     0.467955530 
C10 C     0.383183040     0.657517010     0.312243100 
C11 C     0.378755210     0.598464130     0.302481320 
C12 C     0.351926370     0.645105820     0.604646960 
H1 H     0.425390950     0.698968330    -0.059544650 
H2 H     0.420171160     0.596531330    -0.099719460 
H3 H     0.389436860     0.531443720     0.138936300 
H4 H     0.358034160     0.518610670     0.432293310 
H5 H     0.334705920     0.559199570     0.695209340 
H6 H     0.325426290     0.642812000     0.860313620 
H7 H     0.333568940     0.746811530     0.873966680 
H8 H     0.364807140     0.804095040     0.621561650 
N3 N     0.131936550     0.528770710     0.557211250 
N4 N     0.146111220     0.443676380     0.656502180 
N5 N     0.123937410     0.524822660     0.813339380 
N6 N     0.105010400     0.667452240     0.749736220 
N7 N     0.107790150     0.616509020     0.941203910 
C13 C     0.132178810     0.500700670     0.682192550 
C14 C     0.116126020     0.581651860     0.817952060 
C15 C     0.114438600     0.612456740     0.697406970 
C16 C     0.122962570     0.587498050     0.552338980 
C17 C     0.101428130     0.667015950     0.895852190 
H9 H     0.144320340     0.507693920     0.451789560 
H10 H     0.114067870     0.423490290     0.617743690 
H11 H     0.135491900     0.424867260     0.762976350 
H12 H     0.101621560     0.700702020     0.690075850 
H13 H     0.094040270     0.705032600     0.964887520 
O1 O     0.123931260     0.609181050     0.436479670 

#END
data_-242.383_guan_phenan_33_254985 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,1/2+z
3 1/2-x,1/2+y,1/2+z
4 1/2+x,1/2-y,+z
_cell_length_a 24.3657
_cell_length_b 6.5674
_cell_length_c 9.8004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.698868600     0.780890170     0.668714910 
N2 N     0.647407820     0.780056600     0.417726620 
C1 C     0.723957520     0.781183140     0.788064370 
C2 C     0.781380160     0.781483970     0.804205910 
C3 C     0.813546340     0.781506640     0.688823010 
C4 C     0.819568030     0.781022270     0.435369660 
C5 C     0.794270270     0.780514550     0.311967230 
C6 C     0.708233030     0.779637410     0.175196230 
C7 C     0.651779620     0.779350620     0.172126590 
C8 C     0.623298850     0.779587140     0.297135060 
C9 C     0.702786010     0.780376170     0.422162900 
C10 C     0.729960650     0.780801730     0.554695150 
C11 C     0.788323130     0.781132930     0.559281780 
C12 C     0.735581740     0.780178390     0.302042650 
H1 H     0.697532200     0.781217130     0.877495340 
H2 H     0.799291800     0.781688190     0.905401050 
H3 H     0.858000430     0.781857410     0.695802930 
H4 H     0.864015930     0.781255280     0.442311390 
H5 H     0.818118770     0.780389100     0.218471120 
H6 H     0.732067860     0.779489740     0.081643980 
H7 H     0.629365330     0.778961140     0.076634310 
H8 H     0.578663020     0.779320660     0.297767140 
N3 N     0.517013860     0.416072570     0.471407720 
N4 N     0.464995440     0.661444200     0.586239440 
N5 N     0.505909610     0.402915080     0.711555440 
N6 N     0.584889960    -0.027728820     0.623697540 
N7 N     0.549832890     0.107581120     0.814505330 
C13 C     0.497368360     0.489418610     0.594094380 
C14 C     0.535920180     0.227558380     0.705298680 
C15 C     0.557378440     0.146393050     0.585293430 
C16 C     0.549046040     0.237174950     0.454672630 
C17 C     0.578837460    -0.042191010     0.761621790 
H9 H     0.506175170     0.484629030     0.382998340 
H10 H     0.475698980     0.767609590     0.516629790 
H11 H     0.456609080     0.719526120     0.679367920 
H12 H     0.605140050    -0.123166400     0.560824720 
H13 H     0.596574860    -0.166053000     0.819117430 
O1 O     0.564615690     0.181855190     0.342374180 

#END
data_-242.356_guan_phenan_14_24293 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 7.3327
_cell_length_b 10.1079
_cell_length_c 24.4303
_cell_angle_alpha 90.0
_cell_angle_beta 59.4157
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.888919690    -0.379059370     0.832713590 
N2 N     1.031374110    -0.579697440     0.878232250 
C1 C     0.819912750    -0.284053940     0.810765870 
C2 C     0.691927060    -0.305708780     0.783965360 
C3 C     0.634706940    -0.433586020     0.780305810 
C4 C     0.651149010    -0.673221650     0.800715050 
C5 C     0.721264230    -0.771877150     0.823065760 
C6 C     0.926374260    -0.844183540     0.873411270 
C7 C     1.050716000    -0.810987830     0.898589820 
C8 C     1.098526820    -0.676495430     0.899810350 
C9 C     0.909203650    -0.610932890     0.853413530 
C10 C     0.833991580    -0.504989340     0.829373130 
C11 C     0.705252410    -0.537990930     0.803223500 
C12 C     0.851337900    -0.743632810     0.849847090 
H1 H     0.867493650    -0.183981100     0.814277880 
H2 H     0.640821630    -0.223010070     0.766830770 
H3 H     0.536161630    -0.455473870     0.760096420 
H4 H     0.552722090    -0.695148470     0.780478680 
H5 H     0.679878420    -0.874090670     0.821040370 
H6 H     0.885043810    -0.946441960     0.871390800 
H7 H     1.111191390    -0.885516650     0.917142170 
H8 H     1.196520790    -0.647405620     0.919426850 
N3 N     0.526437910     0.163110650     0.513281680 
N4 N     0.377843840     0.343116160     0.489676340 
N5 N     0.575762730     0.382293110     0.537835860 
N6 N     0.833548890     0.175345960     0.593759930 
N7 N     0.776080030     0.392585040     0.592276350 
C13 C     0.500180920     0.298506210     0.514016640 
C14 C     0.683874020     0.325725720     0.563706700 
C15 C     0.717850110     0.190193190     0.563998070 
C16 C     0.638106960     0.095310100     0.538168270 
C17 C     0.863021580     0.299710100     0.609439190 
H9 H     0.453080160     0.103221950     0.497262190 
H10 H     0.392636750     0.295100640     0.451376340 
H11 H     0.382364270     0.442643730     0.485470710 
H12 H     0.884508250     0.088989720     0.601860400 
H13 H     0.949901680     0.317259230     0.633546600 
O1 O     0.653235500    -0.024965660     0.535975240 

#END
data_-242.348_guan_phenan_2_1292245 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 13.1976
_cell_length_b 18.0436
_cell_length_c 10.1978
_cell_angle_alpha 71.6956
_cell_angle_beta 83.6654
_cell_angle_gamma 148.3186
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.606255390     0.681769580     0.043518730 
N2 N     0.349146390     0.590700700     0.319240430 
C1 C     0.730617780     0.725963440    -0.087911880 
C2 C     0.920549660     0.799801250    -0.126447510 
C3 C     0.981058540     0.827906080    -0.021038530 
C4 C     0.907131960     0.808694010     0.235169640 
C5 C     0.780843660     0.764026550     0.370655420 
C6 C     0.455082270     0.641709660     0.543077820 
C7 C     0.273083190     0.570488220     0.567894480 
C8 C     0.227670300     0.547795000     0.451423100 
C9 C     0.528162990     0.660678890     0.293470200 
C10 C     0.663947750     0.708783980     0.147865910 
C11 C     0.852584980     0.782529600     0.120793250 
C12 C     0.589189980     0.689299670     0.403303800 
H1 H     0.678864950     0.702241510    -0.168992720 
H2 H     1.015258250     0.833080830    -0.236616340 
H3 H     1.125919750     0.884349160    -0.045144760 
H4 H     1.052093190     0.865249420     0.211013660 
H5 H     0.822925610     0.784157220     0.456818020 
H6 H     0.497124870     0.661840490     0.629285900 
H7 H     0.166244610     0.532340460     0.673840990 
H8 H     0.084947110     0.491854200     0.467888930 
N3 N     0.490360830     0.967533240     0.853918240 
N4 N     0.575698360     1.111054550     0.582818920 
N5 N     0.461455930     0.898911310     0.678430680 
N6 N     0.329580750     0.642221450     1.045446370 
N7 N     0.360003900     0.686594150     0.800521450 
C13 C     0.502760070     0.985069200     0.707881880 
C14 C     0.407233510     0.789001790     0.803373210 
C15 C     0.388958480     0.763298180     0.954987730 
C16 C     0.431962350     0.854679500     0.992339980 
C17 C     0.314979140     0.601750390     0.946378790 
H9 H     0.541409690     1.049690670     0.860059010 
H10 H     0.493741430     1.098048620     0.652114870 
H11 H     0.551653800     1.098506730     0.495073960 
H12 H     0.303169090     0.594891410     1.161333670 
H13 H     0.270405150     0.508674250     0.986978420 
O1 O     0.426351150     0.847774150     1.116439060 

#END
data_-242.322_guan_phenan_2_647420 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 10.1924
_cell_length_b 13.2922
_cell_length_c 9.0033
_cell_angle_alpha 68.6381
_cell_angle_beta 134.7811
_cell_angle_gamma 97.3604
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.267784600     0.726200800     0.094119350 
N2 N     0.133529420     0.560847370     0.221513250 
C1 C     0.333082040     0.804481650     0.033695960 
C2 C     0.462680350     0.785145820     0.029188110 
C3 C     0.525643150     0.678220600     0.091394610 
C4 C     0.519630460     0.479131660     0.223890670 
C5 C     0.453698650     0.397826100     0.286629940 
C6 C     0.251008440     0.339832180     0.352268650 
C7 C     0.124592860     0.368726420     0.350047940 
C8 C     0.070451970     0.481055720     0.282839830 
C9 C     0.257622020     0.533605860     0.222911500 
C10 C     0.328527270     0.620917960     0.155657790 
C11 C     0.459304120     0.592139640     0.157183350 
C12 C     0.321777700     0.422662630     0.287856270 
H1 H     0.280900380     0.888187510    -0.014682660 
H2 H     0.510552380     0.853379350    -0.022242570 
H3 H     0.625458370     0.658997600     0.090642790 
H4 H     0.619511230     0.459876830     0.223283030 
H5 H     0.499857770     0.312404190     0.337027370 
H6 H     0.297148130     0.254373390     0.402717770 
H7 H     0.067217050     0.307382590     0.398386710 
H8 H    -0.029233460     0.506261900     0.279538380 
N3 N     0.689678130     1.023307950     0.532909250 
N4 N     0.774818990     0.955123790     0.399770500 
N5 N     0.957504330     1.065130020     0.601937380 
N6 N     0.924145880     1.206968280     0.840805390 
N7 N     1.113422360     1.188489810     0.802662680 
C13 C     0.814299790     1.015933060     0.518828920 
C14 C     0.975773270     1.127834260     0.704701680 
C15 C     0.856288960     1.137968810     0.726647420 
C16 C     0.698227180     1.085032470     0.638439230 
C17 C     1.077580740     1.234145870     0.881223030 
H9 H     0.575141310     0.987980080     0.453158400 
H10 H     0.723018380     0.886701870     0.417000490 
H11 H     0.880404400     0.943301530     0.415091030 
H12 H     0.869242290     1.231446220     0.884018370 
H13 H     1.159009980     1.288005700     0.969494490 
O1 O     0.581783500     1.087811960     0.642658260 

#END
data_-242.286_guan_phenan_19_185032 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 6.9785
_cell_length_b 9.6529
_cell_length_c 23.2524
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.408084620    -0.259830970     0.556230930 
N2 N     0.330084230    -0.006707180     0.506144000 
C1 C     0.445562150    -0.380201720     0.580686330 
C2 C     0.475876480    -0.397985320     0.640097410 
C3 C     0.465977240    -0.283189150     0.675043220 
C4 C     0.414235060    -0.029201700     0.684681190 
C5 C     0.375976840     0.095261070     0.660055420 
C6 C     0.306504940     0.234825350     0.572535180 
C7 C     0.279472990     0.239475740     0.513955320 
C8 C     0.292961820     0.114900970     0.482716100 
C9 C     0.356875520    -0.012701810     0.563590420 
C10 C     0.398076980    -0.146360170     0.590039110 
C11 C     0.426297920    -0.152588310     0.650582270 
C12 C     0.346447720     0.106850220     0.599245260 
H1 H     0.452482660    -0.469142640     0.552051410 
H2 H     0.506108570    -0.499949860     0.657341830 
H3 H     0.488139040    -0.291438840     0.721115140 
H4 H     0.436494120    -0.037400320     0.730742820 
H5 H     0.367042460     0.188357690     0.686066250 
H6 H     0.297572380     0.327981020     0.598531760 
H7 H     0.248525760     0.335865700     0.491952710 
H8 H     0.272289330     0.115515180     0.436356390 
N3 N     0.014998460     0.579054090     0.719256590 
N4 N     0.072806560     0.699216590     0.804855180 
N5 N    -0.009438200     0.823823710     0.723158190 
N6 N    -0.101767550     0.731369720     0.579027310 
N7 N    -0.083567480     0.927310990     0.630322870 
C13 C     0.021769160     0.704719570     0.747561770 
C14 C    -0.048032900     0.816488520     0.665665450 
C15 C    -0.058843330     0.693244230     0.634661620 
C16 C    -0.026152290     0.560661050     0.659938700 
C17 C    -0.114633970     0.872267130     0.579324040 
H9 H     0.051558250     0.491043990     0.740164660 
H10 H     0.023027590     0.618345320     0.827993370 
H11 H     0.056196440     0.791689350     0.824565210 
H12 H    -0.119429060     0.666487360     0.545478950 
H13 H    -0.147362000     0.930221120     0.540837140 
O1 O    -0.028381670     0.445875250     0.638042620 

#END
data_-242.200_guan_phenan_14_427271 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 11.3169
_cell_length_b 15.6021
_cell_length_c 25.7582
_cell_angle_alpha 90.0
_cell_angle_beta 21.7579
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N    -0.201114630     0.629714500     0.279212250 
N2 N    -0.053207510     0.693487370     0.121819770 
C1 C    -0.271603490     0.600025140     0.354559380 
C2 C    -0.308983690     0.651939480     0.414110570 
C3 C    -0.269967670     0.739049100     0.392832450 
C4 C    -0.150612500     0.863478800     0.286915330 
C5 C    -0.077744140     0.894833660     0.209478290 
C6 C     0.032962920     0.869545140     0.070645560 
C7 C     0.063553880     0.812537440     0.017716500 
C8 C     0.017649130     0.724763080     0.046719760 
C9 C    -0.083958330     0.748746150     0.174387410 
C10 C    -0.162037780     0.715072080     0.257489950 
C11 C    -0.194394630     0.773349880     0.312848350 
C12 C    -0.042651490     0.838707960     0.151479680 
H1 H    -0.301163720     0.530964110     0.369720340 
H2 H    -0.366975560     0.623285840     0.474910070 
H3 H    -0.296437530     0.781816590     0.436583200 
H4 H    -0.176881190     0.906252890     0.330576410 
H5 H    -0.044783700     0.963120090     0.190135680 
H6 H     0.065991160     0.937842710     0.051253210 
H7 H     0.121378120     0.833863410    -0.044789610 
H8 H     0.040428390     0.678260510     0.006189080 
N3 N     1.473315610     0.793995520     0.168904450 
N4 N     1.296859550     0.663310060     0.274849800 
N5 N     0.986033360     0.784648510     0.414002310 
N6 N     1.079532560     1.002743330     0.343115240 
N7 N     0.723303470     0.922728300     0.531433940 
C13 C     1.240397190     0.749623490     0.290643530 
C14 C     0.965647030     0.871190470     0.415135470 
C15 C     1.190265020     0.919629060     0.296536100 
C16 C     1.471553340     0.883496300     0.159617720 
C17 C     0.800238400     1.000235670     0.484079460 
H9 H     1.673891990     0.763529070     0.075461110 
H10 H     1.402452510     0.631369530     0.202324440 
H11 H     1.105154590     0.632813870     0.367966550 
H12 H     1.187124890     1.054146610     0.283250030 
H13 H     0.660898210     1.057273070     0.547923240 
O1 O     1.687890840     0.918047040     0.047632610 

#END
data_-242.115_guan_phenan_15_977909 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 13.5402
_cell_length_b 10.1755
_cell_length_c 25.78
_cell_angle_alpha 90.0
_cell_angle_beta 61.4012
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.401779790     1.126935210     0.683215480 
N2 N     0.361900320     1.327028630     0.763197660 
C1 C     0.421053330     1.032183550     0.644559240 
C2 C     0.455668840     1.053786350     0.584323800 
C3 C     0.470479190     1.181329360     0.564250920 
C4 C     0.464602690     1.420325340     0.585976680 
C5 C     0.444945800     1.518709160     0.625303170 
C6 C     0.388780960     1.590805810     0.727940660 
C7 C     0.355217680     1.557692430     0.785753630 
C8 C     0.343066600     1.423561100     0.801003330 
C9 C     0.394896130     1.358188280     0.706327080 
C10 C     0.415947150     1.252531740     0.664092800 
C11 C     0.450714920     1.285453010     0.604167560 
C12 C     0.409789880     1.490532690     0.686146600 
H1 H     0.408720110     0.932374490     0.661634850 
H2 H     0.470004740     0.971307070     0.554971070 
H3 H     0.497139670     1.203168320     0.518217910 
H4 H     0.491195900     1.442198510     0.539961140 
H5 H     0.455563540     1.620650110     0.611302010 
H6 H     0.399376870     1.692790670     0.713960880 
H7 H     0.338334240     1.632016230     0.819074110 
H8 H     0.316618950     1.394542150     0.846380620 
N3 N     0.256134020     0.914243160     0.481609910 
N4 N     0.237654520     1.093330670     0.542476610 
N5 N     0.285370870     1.132057910     0.444547500 
N6 N     0.339290950     0.926171530     0.323749890 
N7 N     0.342546850     1.142156600     0.339595250 
C13 C     0.259472010     1.048840410     0.487434160 
C14 C     0.311406220     1.075761150     0.391442150 
C15 C     0.308650230     0.941010710     0.382666830 
C16 C     0.280317320     0.846763680     0.428623520 
C17 C     0.358342740     1.049774170     0.300571050 
H9 H     0.241593100     0.854845570     0.516005170 
H10 H     0.178068450     1.045139570     0.577883110 
H11 H     0.229895840     1.192127380     0.545727440 
H12 H     0.345835820     0.840294810     0.302852660 
H13 H     0.383786920     1.067157710     0.254555470 
O1 O     0.276052030     0.727210080     0.427042720 

#END
data_-242.087_guan_phenan_60_2853081 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,+y,1/2-z
4 1/2-x,1/2-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,+z
7 +x,-y,1/2+z
8 1/2+x,1/2+y,1/2-z
_cell_length_a 15.6339
_cell_length_b 9.6363
_cell_length_c 22.3226
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.627459130     1.253642060     0.569272130 
N2 N     0.690977590     1.439641410     0.652167350 
C1 C     0.597891310     1.164535120     0.529433840 
C2 C     0.649831770     1.090052230     0.489163740 
C3 C     0.736833830     1.110985740     0.491258200 
C4 C     0.861016660     1.231767500     0.537544940 
C5 C     0.892246870     1.323262080     0.578280070 
C6 C     0.866809950     1.491703970     0.660866330 
C7 C     0.809789180     1.558487320     0.697919560 
C8 C     0.722131480     1.528332150     0.691583790 
C9 C     0.746250430     1.373393950     0.615544660 
C10 C     0.712710760     1.275184520     0.571768890 
C11 C     0.771003320     1.205414460     0.533189120 
C12 C     0.836101090     1.396095470     0.618128510 
H1 H     0.528913130     1.150006630     0.528786530 
H2 H     0.621280710     1.018397150     0.457549690 
H3 H     0.779615580     1.056039410     0.461200180 
H4 H     0.903805480     1.176906890     0.507475390 
H5 H     0.960446320     1.342852620     0.581381870 
H6 H     0.935020580     1.511349700     0.663983740 
H7 H     0.831018100     1.632559310     0.731277280 
H8 H     0.675621760     1.579616880     0.720265940 
N3 N     0.705446670     0.221559430    -0.156353390 
N4 N     0.835678520     0.330297640    -0.177666610 
N5 N     0.716220000     0.466841910    -0.159434610 
N6 N     0.499300280     0.392805520    -0.129938130 
N7 N     0.579828030     0.582615540    -0.143050120 
C13 C     0.750226400     0.344012910    -0.163343060 
C14 C     0.630302540     0.466864010    -0.148419530 
C15 C     0.581530080     0.347331040    -0.140341710 
C16 C     0.616561850     0.210900000    -0.144098640 
C17 C     0.502614830     0.534060520    -0.132129250 
H9 H     0.734959660     0.129572470    -0.163373430 
H10 H     0.867946430     0.251650040    -0.158105220 
H11 H     0.866790000     0.422094960    -0.176121910 
H12 H     0.447923930     0.332102620    -0.122355470 
H13 H     0.446372420     0.597194850    -0.125378190 
O1 O     0.581574640     0.098447360    -0.138853830 

#END
data_-242.066_guan_phenan_33_444933 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,1/2+z
3 1/2-x,1/2+y,1/2+z
4 1/2+x,1/2-y,+z
_cell_length_a 9.6759
_cell_length_b 23.6958
_cell_length_c 6.9255
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.200569400     0.990455750     0.948675820 
N2 N    -0.056866520     0.943285840     1.007987350 
C1 C     0.324200110     1.012487570     0.920420150 
C2 C     0.446251620     0.980515470     0.903337880 
C3 C     0.436720520     0.922716260     0.916775580 
C4 C     0.289797090     0.837569310     0.962365030 
C5 C     0.163240880     0.814376610     0.991617410 
C6 C    -0.090091860     0.826191580     1.038305740 
C7 C    -0.202069210     0.861727510     1.052738670 
C8 C    -0.179348030     0.920224790     1.036400810 
C9 C     0.053866970     0.908883020     0.993531510 
C10 C     0.189807540     0.933790140     0.962225950 
C11 C     0.306453360     0.897505020     0.947012630 
C12 C     0.042617170     0.849161310     1.007895060 
H1 H     0.328669590     1.058252080     0.910316390 
H2 H     0.544527050     1.001370700     0.880231310 
H3 H     0.527742500     0.896194420     0.904454560 
H4 H     0.380793870     0.811041140     0.950162980 
H5 H     0.151209530     0.768977010     1.003174900 
H6 H    -0.102182980     0.780783170     1.049897690 
H7 H    -0.305536600     0.845616100     1.076055500 
H8 H    -0.265965550     0.949303300     1.047287430 
N3 N     0.366331950     0.721114240     0.544074880 
N4 N     0.485064380     0.806675750     0.572713520 
N5 N     0.610782980     0.724490820     0.524257680 
N6 N     0.520391160     0.580757870     0.483795170 
N7 N     0.715376050     0.631680220     0.487593570 
C13 C     0.491468050     0.749132610     0.543333370 
C14 C     0.604218330     0.667144270     0.507088550 
C15 C     0.481561850     0.636364830     0.504862620 
C16 C     0.348779000     0.661886480     0.524757860 
C17 C     0.661097650     0.580840550     0.474323290 
H9 H     0.277976290     0.742572470     0.570602500 
H10 H     0.404955780     0.827468750     0.512143290 
H11 H     0.577436420     0.825489620     0.550972360 
H12 H     0.456048870     0.547361430     0.477127090 
H13 H     0.719497990     0.542321300     0.457501120 
O1 O     0.234407900     0.640284390     0.527903950 

#END
data_-241.954_guan_phenan_15_2733396 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 16.6033
_cell_length_b 9.8359
_cell_length_c 20.1179
_cell_angle_alpha 90.0
_cell_angle_beta 72.8581
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.137291140     0.975768340     0.979709560 
N2 N     0.087138780     0.721839800     0.948819450 
C1 C     0.160915540     1.097709590     0.994016610 
C2 C     0.141303860     1.219024110     0.965001750 
C3 C     0.094636660     1.210600220     0.918858830 
C4 C     0.019487180     1.066684300     0.854467930 
C5 C    -0.005138510     0.941837970     0.839252830 
C6 C    -0.007937750     0.690941150     0.855604290 
C7 C     0.015015510     0.579531090     0.887202570 
C8 C     0.062807180     0.601026970     0.933606180 
C9 C     0.065018620     0.832004820     0.918174800 
C10 C     0.091505730     0.966091170     0.934481590 
C11 C     0.068169990     1.082138160     0.902162780 
C12 C     0.016803090     0.821881790     0.870476860 
H1 H     0.197696490     1.101343700     1.030652050 
H2 H     0.162763210     1.315894560     0.979050600 
H3 H     0.077828950     1.301137510     0.895103860 
H4 H     0.002712150     1.157179430     0.830676890 
H5 H    -0.041971620     0.930704880     0.803097730 
H6 H    -0.044773510     0.679745830     0.819437810 
H7 H    -0.002848470     0.477416110     0.877058930 
H8 H     0.081847930     0.514814190     0.959313570 
N3 N     0.251630840     0.576362620     0.784164520 
N4 N     0.210804270     0.694739770     0.698554120 
N5 N     0.260159760     0.816782680     0.777264590 
N6 N     0.326058420     0.725245920     0.922607650 
N7 N     0.308031200     0.917924680     0.869395780 
C13 C     0.243007310     0.699924430     0.754392470 
C14 C     0.287040230     0.809274720     0.835103070 
C15 C     0.297882030     0.688090840     0.867273210 
C16 C     0.280010690     0.558003330     0.843598290 
C17 C     0.330782220     0.863610500     0.920967270 
H9 H     0.232561460     0.489941920     0.766073530 
H10 H     0.229011420     0.615986940     0.665309140 
H11 H     0.214082740     0.785812800     0.674701910 
H12 H     0.339984510     0.661358470     0.956822850 
H13 H     0.351409980     0.920325920     0.958930480 
O1 O     0.285473080     0.445150780     0.866999520 

#END
data_-241.945_guan_phenan_19_4111 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
_cell_length_a 14.7113
_cell_length_b 11.7232
_cell_length_c 9.3948
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.218222610     0.359631830     0.417855810 
N2 N     0.114625950     0.280351030     0.642047140 
C1 C     0.268439780     0.397712790     0.311586450 
C2 C     0.359901670     0.431332220     0.325406380 
C3 C     0.399776240     0.424228940     0.457579680 
C4 C     0.386045720     0.374684060     0.714219950 
C5 C     0.335103790     0.335757600     0.824463000 
C6 C     0.187747910     0.262071220     0.916390140 
C7 C     0.098997540     0.231690390     0.890004170 
C8 C     0.065807420     0.242621570     0.750095340 
C9 C     0.201820880     0.310431130     0.666500230 
C10 C     0.256524200     0.352302970     0.548120570 
C11 C     0.348409210     0.383988450     0.573980910 
C12 C     0.242220880     0.302786140     0.803770370 
H1 H     0.235200320     0.402400440     0.208353750 
H2 H     0.397209550     0.461864310     0.233551900 
H3 H     0.470094770     0.449040740     0.473777390 
H4 H     0.456335600     0.399546230     0.730469210 
H5 H     0.363924190     0.328903660     0.930426960 
H6 H     0.216538880     0.255209930     1.022406230 
H7 H     0.055131740     0.200063540     0.973829970 
H8 H    -0.004090960     0.219260790     0.726179620 
N3 N     0.795512760     0.474316180     0.568479540 
N4 N     0.674252640     0.559310770     0.447368810 
N5 N     0.796380940     0.490260670     0.316936250 
N6 N     1.005291890     0.362702090     0.409834660 
N7 N     0.935688650     0.418496970     0.209570270 
C13 C     0.757441520     0.505249840     0.439792000 
C14 C     0.880666060     0.441774350     0.323793050 
C15 C     0.922570110     0.407604560     0.449746280 
C16 C     0.881920960     0.422277250     0.586399430 
C17 C     1.008917140     0.371705550     0.265296840 
H9 H     0.763701610     0.494417850     0.660577340 
H10 H     0.630385240     0.531649650     0.522477120 
H11 H     0.645735600     0.569179770     0.350344250 
H12 H     1.052648880     0.330205850     0.475920470 
H13 H     1.067042210     0.342545110     0.205278910 
O1 O     0.911007180     0.398047030     0.704130690 

#END
data_-241.909_guan_phenan_14_709164 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 14.9622
_cell_length_b 9.7788
_cell_length_c 12.2831
_cell_angle_alpha 90.0
_cell_angle_beta 57.7101
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.283735720     0.527032530     0.484430560 
N2 N     0.336566510     0.270420410     0.526396830 
C1 C     0.258768910     0.650240850     0.465143800 
C2 C     0.273374780     0.771042760     0.516182980 
C3 C     0.316306180     0.760680040     0.590834160 
C4 C     0.388992520     0.613320970     0.690750880 
C5 C     0.414922290     0.487154060     0.711438570 
C6 C     0.424341240     0.235527450     0.676795970 
C7 C     0.406404370     0.124791190     0.621883190 
C8 C     0.362120810     0.148309610     0.547209250 
C9 C     0.353781150     0.379943810     0.579717290 
C10 C     0.325877750     0.515447020     0.557566100 
C11 C     0.344042260     0.630816550     0.613795650 
C12 C     0.398141430     0.367808640     0.656859840 
H1 H     0.225024390     0.655397280     0.405769410 
H2 H     0.251073760     0.869029780     0.496507130 
H3 H     0.329213150     0.850748670     0.632324250 
H4 H     0.401852080     0.703345680     0.732309740 
H5 H     0.448909160     0.474476480     0.769797560 
H6 H     0.458328740     0.222786810     0.735173590 
H7 H     0.425533080     0.021690440     0.635064930 
H8 H     0.347063750     0.062669690     0.502681440 
N3 N     0.030760120     1.026562510     0.775652690 
N4 N    -0.069970610     1.142714120     0.711032480 
N5 N     0.014346380     1.267981020     0.791099030 
N6 N     0.169702230     1.178810720     0.917697630 
N7 N     0.104441020     1.370987290     0.887201260 
C13 C    -0.005466560     1.150067090     0.759483030 
C14 C     0.074058790     1.261382250     0.844714290 
C15 C     0.113921050     1.140518130     0.862586640 
C16 C     0.094196370     1.009367890     0.828768370 
C17 C     0.160982160     1.317507660     0.929785430 
H9 H     0.007316760     0.938067830     0.755759270 
H10 H    -0.052004960     1.071299170     0.642925530 
H11 H    -0.084933350     1.236015640     0.689026610 
H12 H     0.208550460     1.115391180     0.943255470 
H13 H     0.197737720     1.375096850     0.970626270 
O1 O     0.122572320     0.896368530     0.840472680 

#END
data_-241.648_guan_phenan_14_808146 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 5.9052
_cell_length_b 9.2624
_cell_length_c 28.9001
_cell_angle_alpha 90.0
_cell_angle_beta 93.9185
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.503101630     0.049387370     0.115304700 
N2 N     0.311058300     0.321058170     0.116221670 
C1 C     0.596364520    -0.080008880     0.114562760 
C2 C     0.785087720    -0.114420590     0.089411680 
C3 C     0.878852930    -0.006979130     0.063975220 
C4 C     0.873988450     0.249222750     0.038029020 
C5 C     0.779512550     0.382776050     0.038460470 
C6 C     0.485730280     0.548945550     0.065823710 
C7 C     0.301417810     0.569740080     0.091716510 
C8 C     0.220747200     0.451381730     0.116363570 
C9 C     0.492022230     0.299214640     0.090958590 
C10 C     0.593423050     0.155758260     0.090471200 
C11 C     0.784126760     0.132827000     0.063837630 
C12 C     0.587235320     0.411246170     0.064758910 
H1 H     0.518859610    -0.162806860     0.134981330 
H2 H     0.853190020    -0.223087100     0.090335890 
H3 H     1.024509400    -0.027979950     0.044023680 
H4 H     1.019540550     0.228242490     0.018055660 
H5 H     0.848177000     0.470507850     0.018852530 
H6 H     0.554329690     0.636735010     0.046213000 
H7 H     0.219070320     0.673978680     0.093369390 
H8 H     0.075281670     0.464700300     0.137107330 
N3 N     0.418975680     0.704827970     0.768578030 
N4 N     0.649977540     0.817062250     0.716690270 
N5 N     0.368742390     0.951691580     0.748800730 
N6 N    -0.057024520     0.869344630     0.824518040 
N7 N     0.051171720     1.062413230     0.784913490 
C13 C     0.474881620     0.829410920     0.745717350 
C14 C     0.190599680     0.948295930     0.776523350 
C15 C     0.126607830     0.826827410     0.800885640 
C16 C     0.239231550     0.691028850     0.798504200 
C17 C    -0.093338630     1.010947830     0.813523500 
H9 H     0.500520990     0.611381060     0.762522850 
H10 H     0.781154780     0.752488350     0.727314170 
H11 H     0.698249630     0.914035200     0.704763220 
H12 H    -0.144566870     0.806639590     0.845523190 
H13 H    -0.228666470     1.072128940     0.827461140 
O1 O     0.199926010     0.576644520     0.817253540 

#END
data_-241.615_guan_phenan_2_4502 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 8.3928
_cell_length_b 32.8365
_cell_length_c 16.6281
_cell_angle_alpha 151.5763
_cell_angle_beta 29.0145
_cell_angle_gamma 127.8009
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.641480860     0.140906380     0.658203810 
N2 N     0.799171150    -0.017891710     0.420493210 
C1 C     0.563395270     0.217667640     0.775048580 
C2 C     0.298340260     0.336248010     1.115885520 
C3 C     0.108128990     0.375022800     1.342319280 
C4 C    -0.005635190     0.330782520     1.451057060 
C5 C     0.071704830     0.252725050     1.334287340 
C6 C     0.430554580     0.050067180     0.855982240 
C7 C     0.695418430    -0.063666700     0.517250620 
C8 C     0.871906240    -0.092947080     0.310048410 
C9 C     0.539894670     0.093988700     0.752336020 
C10 C     0.456596100     0.177844700     0.877876600 
C11 C     0.183307900     0.295735170     1.227632140 
C12 C     0.344743380     0.132995120     0.984091250 
H1 H     0.717965200     0.184615910     0.590507680 
H2 H     0.247914130     0.394605410     1.194761030 
H3 H    -0.098695260     0.465583220     1.607650500 
H4 H    -0.212651320     0.421334820     1.716460350 
H5 H    -0.072222460     0.279721150     1.504548580 
H6 H     0.286633740     0.077025850     1.026195790 
H7 H     0.768665280    -0.129755340     0.409802450 
H8 H     1.082274780    -0.182188170     0.041387790 
N3 N    -0.086461160     0.462577760     1.062918130 
N4 N    -0.583231310     0.590199340     1.605501430 
N5 N    -0.150992530     0.392388120     1.089139590 
N6 N     0.631507760     0.146051820     0.194705380 
N7 N     0.316941560     0.182685650     0.518058010 
C13 C    -0.260547860     0.476965110     1.240090660 
C14 C     0.152828540     0.285054570     0.734212040 
C15 C     0.344506290     0.264371490     0.538366820 
C16 C     0.233988920     0.354769210     0.693947150 
C17 C     0.599566490     0.102432750     0.200456570 
H9 H    -0.205503310     0.532841750     1.204428510 
H10 H    -0.541883250     0.645211890     1.668545680 
H11 H    -0.663976280     0.594529200     1.706897830 
H12 H     0.823379070     0.102273950    -0.014896820 
H13 H     0.791508260     0.010657250    -0.036514920 
O1 O     0.369702610     0.349423750     0.557863190 

#END
data_-241.515_guan_phenan_60_1457860 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,+y,1/2-z
4 1/2-x,1/2-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,+z
7 +x,-y,1/2+z
8 1/2+x,1/2+y,1/2-z
_cell_length_a 15.1812
_cell_length_b 9.5302
_cell_length_c 22.0992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.285880760     0.626014000     0.156703580 
N2 N     0.387635980     0.462152420     0.081015090 
C1 C     0.236514880     0.703943080     0.192580430 
C2 C     0.143984560     0.710490700     0.189227740 
C3 C     0.102054400     0.630965570     0.145981510 
C4 C     0.112662920     0.461169900     0.060758470 
C5 C     0.162689460     0.380655630     0.023525590 
C6 C     0.310297840     0.295722050    -0.008939690 
C7 C     0.400247890     0.297846060    -0.001389260 
C8 C     0.435548960     0.383414450     0.044541860 
C9 C     0.299284630     0.461002590     0.074089310 
C10 C     0.245552150     0.547535870     0.114052990 
C11 C     0.152446810     0.546267620     0.106723430 
C12 C     0.256737630     0.378377410     0.029130480 
H1 H     0.271386290     0.765661060     0.226337900 
H2 H     0.107469270     0.776828870     0.220152370 
H3 H     0.030856760     0.632281220     0.141575960 
H4 H     0.041481680     0.462522020     0.056318510 
H5 H     0.132238420     0.316448820    -0.011206410 
H6 H     0.279873640     0.231490260    -0.043692540 
H7 H     0.443469250     0.235742590    -0.029766810 
H8 H     0.506427310     0.387161880     0.051520490 
N3 N     0.703254660     1.472321600     0.155763880 
N4 N     0.838157720     1.588961550     0.146735190 
N5 N     0.710958620     1.720599290     0.159702110 
N6 N     0.485508900     1.635228840     0.171441850 
N7 N     0.567019000     1.831033130     0.169042200 
C13 C     0.748273610     1.598219750     0.155161750 
C14 C     0.621309560     1.716494470     0.164428230 
C15 C     0.571992260     1.593269990     0.165902150 
C16 C     0.610544790     1.457173520     0.161243400 
C17 C     0.487049260     1.778181510     0.173079310 
H9 H     0.735961090     1.381372170     0.148556380 
H10 H     0.869463600     1.507787890     0.166728090 
H11 H     0.868364520     1.682306180     0.152907180 
H12 H     0.432689860     1.571363320     0.173723210 
H13 H     0.427457190     1.839255050     0.177316900 
O1 O     0.575662870     1.341907160     0.161070360 

#END
data_-241.421_guan_phenan_14_902623 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 22.3422
_cell_length_b 24.5875
_cell_length_c 7.569
_cell_angle_alpha 90.0
_cell_angle_beta 157.7145
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.621472290     0.782185410    -0.648471160 
N2 N     0.826457400     0.860611100    -0.213091250 
C1 C     0.524452980     0.744307020    -0.854565690 
C2 C     0.554330330     0.688085470    -0.784519450 
C3 C     0.693039150     0.671344490    -0.482962650 
C4 C     0.946213610     0.695698620     0.061920410 
C5 C     1.046966490     0.734253650     0.275819250 
C6 C     1.112464420     0.831838020     0.407717800 
C7 C     1.070542090     0.885593000     0.311858950 
C8 C     0.925411120     0.897708770    -0.002913400 
C9 C     0.866197100     0.807711230    -0.121999280 
C10 C     0.757952280     0.766297960    -0.351921070 
C11 C     0.799918580     0.710557820    -0.255742640 
C12 C     1.009974450     0.790935070     0.190308630 
H1 H     0.415774230     0.758695940    -1.090902100 
H2 H     0.469384070     0.659147280    -0.965404450 
H3 H     0.721619940     0.628475090    -0.416891130 
H4 H     0.974785620     0.652838810     0.127857400 
H5 H     1.157553460     0.722783270     0.515927360 
H6 H     1.223087830     0.820387060     0.647881290 
H7 H     1.146254770     0.918112310     0.472265810 
H8 H     0.889250480     0.939848050    -0.085230270 
N3 N     0.358839150     0.989341220    -0.727311190 
N4 N     0.101038240     1.023334070    -1.433077380 
N5 N     0.180825490     0.968881050    -0.981211890 
N6 N     0.532467340     0.898386010     0.078336270 
N7 N     0.292715310     0.907794980    -0.455687310 
C13 C     0.214803270     0.993152180    -1.036250950 
C14 C     0.300013590     0.937758660    -0.588384540 
C15 C     0.448392560     0.932578650    -0.260602070 
C16 C     0.490226260     0.958688360    -0.308024750 
C17 C     0.432977430     0.885071980    -0.058658700 
H9 H     0.374207480     1.006782750    -0.805142680 
H10 H     0.137477610     1.057087610    -1.397658200 
H11 H     0.004552850     1.029283630    -1.620649150 
H12 H     0.644821840     0.886160280     0.366807310 
H13 H     0.469008750     0.858416080     0.145716760 
O1 O     0.613502470     0.957172430    -0.054332710 

#END
data_-241.380_guan_phenan_61_637019 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,+z
7 +x,1/2-y,1/2+z
8 1/2+x,+y,1/2-z
_cell_length_a 9.5823
_cell_length_b 22.6928
_cell_length_c 15.5122
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.598505890     0.657434280     0.696270480 
N2 N     0.414012780     0.572347200     0.639732280 
C1 C     0.686462430     0.697940120     0.724115290 
C2 C     0.723004700     0.705659650     0.811306560 
C3 C     0.663726190     0.668834370     0.871504080 
C4 C     0.503913390     0.585302800     0.903944400 
C5 C     0.413155170     0.543486690     0.876156950 
C6 C     0.286089890     0.494740900     0.755806330 
C7 C     0.258364880     0.491385780     0.668918870 
C8 C     0.325613630     0.531504590     0.613522460 
C9 C     0.442142160     0.576102930     0.724833070 
C10 C     0.539555150     0.621035210     0.754690150 
C11 C     0.569140680     0.624965000     0.844385330 
C12 C     0.380001110     0.537777480     0.786445370 
H1 H     0.731757090     0.726409770     0.675147820 
H2 H     0.796034410     0.739869880     0.829727590 
H3 H     0.688544820     0.672963120     0.939501280 
H4 H     0.528643490     0.589440510     0.971941110 
H5 H     0.364040930     0.513579510     0.921520150 
H6 H     0.236921940     0.464818670     0.801154600 
H7 H     0.186847850     0.458906390     0.643032990 
H8 H     0.305630570     0.529871570     0.544546300 
N3 N     0.880804920     0.847115420     0.705395060 
N4 N     0.993617600     0.830125330     0.836761020 
N5 N     1.127756600     0.845659370     0.714302780 
N6 N     1.047700040     0.868621900     0.494898310 
N7 N     1.240697930     0.858827780     0.575070320 
C13 C     1.005114490     0.842054670     0.749815390 
C14 C     1.125574860     0.854252520     0.627185060 
C15 C     1.004082020     0.860294420     0.578659990 
C16 C     0.867781240     0.856793630     0.615313880 
C17 C     1.189865880     0.867298680     0.497140670 
H9 H     0.789169270     0.840498000     0.736285780 
H10 H     0.914654250     0.849776900     0.868874460 
H11 H     1.086548570     0.832936180     0.867219020 
H12 H     0.985317210     0.874419380     0.443272200 
H13 H     1.251916650     0.872804770     0.439594950 
O1 O     0.753793150     0.860446650     0.580763370 

#END
data_-241.351_guan_phenan_15_1412972 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 10.1866
_cell_length_b 12.9957
_cell_length_c 42.8017
_cell_angle_alpha 90.0
_cell_angle_beta 33.0248
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.009892910     0.122967540     0.067106430 
N2 N     0.090630850     0.127550950    -0.012638540 
C1 C    -0.031086370     0.120824840     0.105649870 
C2 C    -0.262564530     0.119053080     0.165273600 
C3 C    -0.458884580     0.119560260     0.184830570 
C4 C    -0.619841780     0.122559210     0.162699270 
C5 C    -0.580162370     0.124862070     0.123495630 
C6 C    -0.293649730     0.129022450     0.021636750 
C7 C    -0.059222150     0.130613090    -0.035556630 
C8 C     0.126845190     0.129772570    -0.050332440 
C9 C    -0.138568020     0.125954950     0.043623900 
C10 C    -0.181206220     0.123542070     0.085733850 
C11 C    -0.422804070     0.121863900     0.145018390 
C12 C    -0.340060550     0.126612070     0.063288880 
H1 H     0.127325250     0.120443020     0.088986860 
H2 H    -0.283255980     0.117342610     0.194569580 
H3 H    -0.641038590     0.118192290     0.230374390 
H4 H    -0.801991500     0.121251340     0.208233170 
H5 H    -0.729976830     0.125401080     0.137111730 
H6 H    -0.443437350     0.129573670     0.035232950 
H7 H    -0.016648460     0.132464300    -0.068751810 
H8 H     0.313837630     0.131015240    -0.095212810 
N3 N     0.098121590     1.130206930     0.768736240 
N4 N     0.497540100     1.135352910     0.706333000 
N5 N     0.191878740     1.118299080     0.803941030 
N6 N    -0.442300440     1.113280820     0.925624360 
N7 N    -0.164326470     1.108795520     0.908054670 
C13 C     0.256777330     1.126160850     0.761894450 
C14 C    -0.051430770     1.115632240     0.857099330 
C15 C    -0.221037200     1.118399950     0.866970740 
C16 C    -0.156867620     1.126653290     0.821987200 
C17 C    -0.395967100     1.107664750     0.947605720 
H9 H     0.160556970     1.142264540     0.734379650 
H10 H     0.553251500     1.101125810     0.675308790 
H11 H     0.605216090     1.121303330     0.703385130 
H12 H    -0.603831320     1.113743900     0.947106050 
H13 H    -0.538949400     1.102805960     0.993176020 
O1 O    -0.284933270     1.131214410     0.824434900 

#END
data_-241.291_guan_phenan_33_419992 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,1/2+z
3 1/2-x,1/2+y,1/2+z
4 1/2+x,1/2-y,+z
_cell_length_a 11.2629
_cell_length_b 14.1765
_cell_length_c 9.8054
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.181213580     0.025091120     0.141807900 
N2 N     0.213387190     0.107965760     0.393920460 
C1 C     0.165461010    -0.015318290     0.021908750 
C2 C     0.118707850    -0.106605180     0.004077270 
C3 C     0.087320970    -0.157153790     0.118303410 
C4 C     0.071877150    -0.165560930     0.371155630 
C5 C     0.087745430    -0.124837530     0.495113850 
C6 C     0.153252130     0.012418390     0.634236220 
C7 C     0.199754050     0.102102980     0.638989090 
C8 C     0.228375350     0.146792770     0.515036060 
C9 C     0.167810800     0.019989050     0.387834250 
C10 C     0.150828650    -0.023776710     0.254708760 
C11 C     0.102795410    -0.116494990     0.248383320 
C12 C     0.135823440    -0.031575640     0.506777880 
H1 H     0.190990560     0.026244340    -0.066582850 
H2 H     0.108142280    -0.135534140    -0.097482560 
H3 H     0.050829340    -0.227776130     0.110001920 
H4 H     0.035452420    -0.236194020     0.362896210 
H5 H     0.064214240    -0.162300980     0.587743140 
H6 H     0.129741770    -0.025026990     0.726922680 
H7 H     0.214368190     0.138127160     0.734995770 
H8 H     0.265293970     0.217681310     0.515741400 
N3 N     0.974326310     0.543742450     0.841996620 
N4 N     1.041533170     0.409574100     0.726659060 
N5 N     0.963313680     0.533586310     0.601008760 
N6 N     0.835287690     0.752400520     0.688837990 
N7 N     0.869437970     0.670634370     0.497374040 
C13 C     0.992758770     0.498714260     0.718925280 
C14 C     0.909747480     0.619896600     0.607107510 
C15 C     0.889560580     0.669505260     0.727536070 
C16 C     0.920927330     0.633743860     0.858679680 
C17 C     0.825895890     0.748713560     0.550350420 
H9 H     0.993232080     0.510197800     0.930417730 
H10 H     1.104049640     0.398741590     0.798785430 
H11 H     1.064077550     0.384377930     0.633847280 
H12 H     0.808557130     0.804388240     0.751883380 
H13 H     0.786233630     0.805363860     0.492527980 
O1 O     0.907210970     0.668566480     0.971306170 

#END
data_-241.287_guan_phenan_61_404017 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,+z
7 +x,1/2-y,1/2+z
8 1/2+x,+y,1/2-z
_cell_length_a 22.4939
_cell_length_b 15.1033
_cell_length_c 9.5323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.641204390     0.716288980    -0.121049570 
N2 N     0.567224280     0.614730130     0.044847160 
C1 C     0.676269590     0.765566130    -0.199959460 
C2 C     0.672844610     0.858523520    -0.207800280 
C3 C     0.630422120     0.900998110    -0.128538940 
C4 C     0.546964250     0.891059410     0.042066120 
C5 C     0.510571580     0.841129090     0.123581140 
C6 C     0.478997380     0.693155900     0.210869760 
C7 C     0.486530000     0.602754560     0.209969760 
C8 C     0.531572470     0.566916250     0.124549870 
C9 C     0.560305980     0.703520810     0.044790940 
C10 C     0.599367600     0.757149560    -0.042816970 
C11 C     0.592046560     0.850718100    -0.042819420 
C12 C     0.516204800     0.746628180     0.127156810 
H1 H     0.709387410     0.730260820    -0.261441010 
H2 H     0.703078790     0.894936150    -0.274897810 
H3 H     0.625998590     0.972540360    -0.130835580 
H4 H     0.542506880     0.962584870     0.039733540 
H5 H     0.476505880     0.872002800     0.187622080 
H6 H     0.444911270     0.724002710     0.274936240 
H7 H     0.458800610     0.559584660     0.272908560 
H8 H     0.538515880     0.495673420     0.121758990 
N3 N     0.176308020     0.296141820     0.446233440 
N4 N     0.192519960     0.161421240     0.560992340 
N5 N     0.177470900     0.287899880     0.694567820 
N6 N     0.155745580     0.513240600     0.611857700 
N7 N     0.164933640     0.431494570     0.806687980 
C13 C     0.181012100     0.250919470     0.571646830 
C14 C     0.169343540     0.377478640     0.691490010 
C15 C     0.163672220     0.426940390     0.568863000 
C16 C     0.167115400     0.388738050     0.432222410 
C17 C     0.156922150     0.511452950     0.754794700 
H9 H     0.182885560     0.263983860     0.354453940 
H10 H     0.172576940     0.128408720     0.481810560 
H11 H     0.189401470     0.130526730     0.654683900 
H12 H     0.150279980     0.566105550     0.548620920 
H13 H     0.151660750     0.570860110     0.816585930 
O1 O     0.163759870     0.423843690     0.317287100 

#END
data_-241.286_guan_phenan_15_920808 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 22.9261
_cell_length_b 15.0711
_cell_length_c 9.5211
_cell_angle_alpha 90.0
_cell_angle_beta 81.4198
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.174426750     0.637687580     0.077816700 
N2 N     0.098875720     0.532439300    -0.049879070 
C1 C     0.210832680     0.687268950     0.139177540 
C2 C     0.259272400     0.653733400     0.197611200 
C3 C     0.269524390     0.563778910     0.190623570 
C4 C     0.239948510     0.414311460     0.115434240 
C5 C     0.202789090     0.362556580     0.052714220 
C6 C     0.114885310     0.348390870    -0.070597710 
C7 C     0.068998840     0.388681140    -0.123955390 
C8 C     0.063060090     0.481408310    -0.110616630 
C9 C     0.144087780     0.493733430     0.002894820 
C10 C     0.183980370     0.549307240     0.070333590 
C11 C     0.231615920     0.508464500     0.125926470 
C12 C     0.154167150     0.400589090    -0.004887010 
H1 H     0.201693260     0.758106610     0.143171120 
H2 H     0.287428890     0.698274750     0.246536860 
H3 H     0.306296900     0.534668440     0.234023000 
H4 H     0.276690930     0.385177670     0.158888060 
H5 H     0.209288960     0.291309110     0.045077470 
H6 H     0.121362830     0.277120310    -0.078251480 
H7 H     0.037960830     0.350746530    -0.175134030 
H8 H     0.027186930     0.515012030    -0.151801590 
N3 N     0.076077470     0.046390820     0.605721170 
N4 N     0.062839410    -0.088595720     0.493478530 
N5 N     0.076374570     0.039336920     0.356880530 
N6 N     0.093747400     0.265470980     0.436816160 
N7 N     0.087020910     0.184215680     0.242929540 
C13 C     0.072825330     0.001542430     0.480653960 
C14 C     0.082933500     0.129361720     0.358933000 
C15 C     0.087089410     0.178506900     0.480966590 
C16 C     0.083585100     0.139423090     0.618446320 
C17 C     0.093366250     0.264353660     0.293806530 
H9 H     0.069601350     0.013471280     0.699338010 
H10 H     0.082748970    -0.121326460     0.565795310 
H11 H     0.066940720    -0.118960160     0.397934490 
H12 H     0.097957000     0.318315790     0.499411800 
H13 H     0.097926240     0.324372110     0.231187840 
O1 O     0.085722900     0.174139280     0.733261650 

#END
data_-241.268_guan_phenan_15_2528930 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 13.3243
_cell_length_b 9.7554
_cell_length_c 29.0957
_cell_angle_alpha 90.0
_cell_angle_beta 56.4614
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.400990180     0.474894700     0.446674090 
N2 N     0.459391680     0.715139580     0.386964260 
C1 C     0.372886230     0.360766440     0.475652580 
C2 C     0.334766890     0.355763960     0.531421550 
C3 C     0.326080550     0.476996080     0.557553710 
C4 C     0.348179620     0.730802760     0.552911740 
C5 C     0.376946300     0.848917400     0.523550660 
C6 C     0.445688200     0.968626170     0.435347170 
C7 C     0.481864500     0.960784560     0.381044490 
C8 C     0.487100690     0.830683610     0.358861590 
C9 C     0.423738760     0.721413580     0.440293950 
C10 C     0.392907780     0.594553580     0.471823280 
C11 C     0.355345650     0.601253780     0.528022820 
C12 C     0.415257330     0.847475630     0.466819310 
H1 H     0.380534730     0.266517190     0.453968810 
H2 H     0.313088390     0.258345010     0.552764590 
H3 H     0.297061880     0.478630280     0.600510570 
H4 H     0.319234930     0.732466200     0.595852190 
H5 H     0.371390130     0.946716650     0.542589060 
H6 H     0.440158840     1.066477320     0.454368480 
H7 H     0.505918090     1.051638060     0.355601670 
H8 H     0.515417000     0.821431150     0.316048570 
N3 N     0.270620150     0.345348810     0.766881250 
N4 N     0.184331850     0.463009830     0.726907480 
N5 N     0.265638160     0.588246060     0.766622850 
N6 N     0.399841360     0.498071400     0.838311010 
N7 N     0.349061920     0.691759190     0.814657790 
C13 C     0.243305980     0.469724970     0.753673520 
C14 C     0.318081970     0.581501200     0.795743010 
C15 C     0.349010690     0.459677220     0.809933430 
C16 C     0.326330720     0.327809300     0.796318410 
C17 C     0.397207420     0.637745490     0.839683900 
H9 H     0.244484670     0.256998830     0.758274810 
H10 H     0.209089170     0.387343420     0.698931890 
H11 H     0.177919800     0.555888110     0.713382250 
H12 H     0.431923700     0.434107670     0.854487980 
H13 H     0.431905030     0.695618530     0.859634570 
O1 O     0.346916770     0.214084200     0.806634910 

#END
data_-241.231_guan_phenan_14_966430 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 6.8555
_cell_length_b 9.8423
_cell_length_c 33.7364
_cell_angle_alpha 90.0
_cell_angle_beta 136.4177
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N    -0.255303870     0.077240080     0.389352240 
N2 N    -0.014242760     0.325321420     0.442692510 
C1 C    -0.368206470    -0.041977220     0.364333580 
C2 C    -0.238396210    -0.167423460     0.391919200 
C3 C     0.022235920    -0.166330800     0.448449380 
C4 C     0.421325950    -0.033145730     0.535558170 
C5 C     0.539918210     0.088820840     0.561777780 
C6 C     0.515640340     0.341355080     0.557590460 
C7 C     0.368694110     0.457342910     0.526244340 
C8 C     0.103278310     0.443270170     0.468667970 
C9 C     0.127729800     0.210724980     0.472974160 
C10 C     0.000451790     0.079725410     0.444807760 
C11 C     0.150212550    -0.040995630     0.476750110 
C12 C     0.397341970     0.213263140     0.531411050 
H1 H    -0.574265160    -0.039801850     0.319666740 
H2 H    -0.343132790    -0.261705670     0.368777330 
H3 H     0.130983350    -0.260283280     0.471636410 
H4 H     0.530187240    -0.127062580     0.558744460 
H5 H     0.745243040     0.094191700     0.606303490 
H6 H     0.721026960     0.346786010     0.602125040 
H7 H     0.452832440     0.557466640     0.544908420 
H8 H    -0.017500580     0.533223770     0.442870080 
N3 N     0.367037590     0.869246410     0.738123860 
N4 N     0.782127440     0.751904410     0.783336940 
N5 N     0.376074510     0.628502790     0.737684490 
N6 N    -0.315048590     0.718721100     0.665382260 
N7 N    -0.073135280     0.526388070     0.690490850 
C13 C     0.498890900     0.745804280     0.751428280 
C14 C     0.100286740     0.635492850     0.708984980 
C15 C    -0.045981600     0.756463130     0.693758070 
C16 C     0.081133040     0.887000970     0.707897230 
C17 C    -0.317411340     0.580238840     0.664877550 
H9 H     0.479758690     0.956414300     0.753007980 
H10 H     0.843640890     0.828444450     0.774422300 
H11 H     0.859040830     0.660198850     0.786625300 
H12 H    -0.474887510     0.782332140     0.648698930 
H13 H    -0.504470300     0.523086840     0.645071430 
O1 O    -0.019417110     0.999822950     0.698079960 

#END
data_-241.183_guan_phenan_15_1842062 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 17.5837
_cell_length_b 9.2863
_cell_length_c 23.0965
_cell_angle_alpha 90.0
_cell_angle_beta 120.2117
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.198255640     0.429983330     1.026517370 
N2 N     0.122031050     0.160291670     1.001433490 
C1 C     0.235373900     0.558407430     1.039082560 
C2 C     0.318346870     0.590045690     1.094845790 
C3 C     0.363872230     0.480785390     1.139149580 
C4 C     0.370577580     0.223747140     1.171830660 
C5 C     0.333087470     0.091166030     1.159518620 
C6 C     0.207849570    -0.071090150     1.087842920 
C7 C     0.126374020    -0.089130810     1.031677770 
C8 C     0.086283140     0.030888380     0.990010690 
C9 C     0.201972640     0.179437090     1.056372860 
C10 C     0.242221380     0.321848230     1.069621950 
C11 C     0.326469260     0.341935740     1.127532250 
C12 C     0.248328810     0.065544240     1.101842160 
H1 H     0.197943750     0.642688640     1.003238410 
H2 H     0.344964580     0.698052080     1.102141430 
H3 H     0.428087500     0.499628290     1.182876620 
H4 H     0.434761390     0.242568840     1.215576070 
H5 H     0.366754630     0.002067790     1.193224190 
H6 H     0.241492420    -0.160245660     1.121544570 
H7 H     0.093271470    -0.192478210     1.019307390 
H8 H     0.021878390     0.019753410     0.945289060 
N3 N     0.201835460     0.204284170     0.726664020 
N4 N     0.337902330     0.316662510     0.792871380 
N5 N     0.221890490     0.451123740     0.711737420 
N6 N     0.003036330     0.368645150     0.589233900 
N7 N     0.091209390     0.561766860     0.620002030 
C13 C     0.251218000     0.328884970     0.742531980 
C14 C     0.136653740     0.447683100     0.660404390 
C15 C     0.083002670     0.326180550     0.642225310 
C16 C     0.112695450     0.190421710     0.674921140 
C17 C     0.012271800     0.510251130     0.578477690 
H9 H     0.230322720     0.110953120     0.750173580 
H10 H     0.350650480     0.251581480     0.831757690 
H11 H     0.367940160     0.413498460     0.806863300 
H12 H    -0.050655550     0.305907300     0.564143150 
H13 H    -0.041099070     0.571395650     0.539364960 
O1 O     0.073704890     0.076033140     0.663801190 

#END
data_-241.116_guan_phenan_2_667519 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 8.731
_cell_length_b 10.1489
_cell_length_c 13.7446
_cell_angle_alpha 91.9777
_cell_angle_beta 62.7794
_cell_angle_gamma 128.966
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.278452780     1.059772960     0.476399950 
N2 N     0.037573580     1.139824810     0.633615150 
C1 C     0.392424000     1.020039430     0.402130460 
C2 C     0.350387900     0.864692020     0.433721760 
C3 C     0.180184140     0.746477040     0.548998090 
C4 C    -0.124782630     0.666318310     0.752434590 
C5 C    -0.243139310     0.705711770     0.829746510 
C6 C    -0.312619310     0.910380430     0.870743030 
C7 C    -0.256201460     1.066317470     0.829647740 
C8 C    -0.078757740     1.176609740     0.709635270 
C9 C    -0.016119680     0.987198200     0.672805760 
C10 C     0.111085120     0.944930860     0.589792260 
C11 C     0.054398230     0.784059570     0.631165060 
C12 C    -0.192399770     0.866148510     0.792308380 
H1 H     0.525886360     1.115785300     0.311623840 
H2 H     0.450619350     0.840344630     0.368162740 
H3 H     0.141038960     0.624773600     0.577765950 
H4 H    -0.163870720     0.544676740     0.781241600 
H5 H    -0.378592930     0.616133650     0.921464280 
H6 H    -0.448106660     0.820836340     0.962496940 
H7 H    -0.344785220     1.104671500     0.887284700 
H8 H    -0.030509120     1.300690900     0.674748600 
N3 N     0.052761230     0.362155150     0.961984580 
N4 N    -0.146336750     0.080585500     1.085951330 
N5 N     0.154452000     0.194813000     0.890603260 
N6 N     0.522446110     0.588282100     0.646659150 
N7 N     0.463016330     0.340873230     0.681028830 
C13 C     0.029425230     0.215021180     0.975290370 
C14 C     0.313280070     0.331812120     0.783799730 
C15 C     0.347340120     0.484655570     0.764572700 
C16 C     0.214274140     0.511913330     0.855251530 
C17 C     0.583848440     0.495028590     0.601892270 
H9 H    -0.059708690     0.364065290     1.030129360 
H10 H    -0.171395330     0.121145580     1.155225560 
H11 H    -0.138728200    -0.013536380     1.093425340 
H12 H     0.589147200     0.708464040     0.603826990 
H13 H     0.719042080     0.546025800     0.510160750 
O1 O     0.223132020     0.636512710     0.850625510 

#END
data_-241.116_guan_phenan_2_956945 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 15.2772
_cell_length_b 7.3133
_cell_length_c 18.5842
_cell_angle_alpha 54.0077
_cell_angle_beta 42.8937
_cell_angle_gamma 34.5678
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.554665380     0.516998670     0.740920540 
N2 N     0.507360200     0.655250320     0.592195160 
C1 C     0.578936430     0.449823270     0.811235210 
C2 C     0.733550270     0.329180400     0.785043830 
C3 C     0.868102470     0.277676110     0.679783950 
C4 C     0.982718840     0.297668760     0.491279900 
C5 C     0.959512020     0.365489770     0.418155720 
C6 C     0.771356080     0.560361270     0.375434380 
C7 C     0.614422680     0.677305180     0.410502480 
C8 C     0.486387730     0.720296850     0.520331490 
C9 C     0.660740200     0.540403730     0.558831940 
C10 C     0.685728810     0.467377000     0.637364560 
C11 C     0.847410860     0.346344750     0.602138900 
C12 C     0.798972330     0.487889150     0.449710450 
H1 H     0.470438660     0.492914860     0.893806270 
H2 H     0.744727310     0.279121390     0.846884190 
H3 H     0.989871110     0.185176390     0.655489700 
H4 H     1.104534130     0.205012600     0.466963790 
H5 H     1.062389790     0.328134050     0.334328880 
H6 H     0.874226470     0.523008340     0.291576030 
H7 H     0.588507940     0.735672500     0.355792070 
H8 H     0.361145110     0.812301180     0.550286590 
N3 N     0.123264640     0.424395450     0.017564390 
N4 N     0.441567000    -0.001476830    -0.061785980 
N5 N     0.270137850     0.379805080     0.044215610 
N6 N    -0.200199240     1.095033590     0.182816040 
N7 N     0.058427050     0.825438450     0.152177750 
C13 C     0.275323040     0.273068720     0.003534780 
C14 C     0.099304130     0.662873610     0.102433670 
C15 C    -0.059775140     0.826130210     0.120524130 
C16 C    -0.059689810     0.716166820     0.077566760 
C17 C    -0.120603930     1.080348470     0.198866750 
H9 H     0.138638520     0.337822040    -0.021342810 
H10 H     0.443182580    -0.148209950    -0.057612320 
H11 H     0.544432990    -0.118931090    -0.060321010 
H12 H    -0.333961260     1.265476070     0.210142010 
H13 H    -0.200129190     1.263348450     0.245678470 
O1 O    -0.186755990     0.835645850     0.085675630 

#END
data_-241.079_guan_phenan_2_1244712 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 14.4767
_cell_length_b 3.7953
_cell_length_c 76.072
_cell_angle_alpha 53.049
_cell_angle_beta 161.4688
_cell_angle_gamma 137.7575
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     1.527620680     0.292022680     0.767899850 
N2 N     1.222919480     0.611068920     0.680961730 
C1 C     1.670128840     0.136762730     0.809077830 
C2 C     1.473519220    -0.216560030     0.799280430 
C3 C     1.110279810    -0.413575730     0.743420090 
C4 C     0.570822480    -0.448253170     0.639126180 
C5 C     0.421077240    -0.291176700     0.596392720 
C6 C     0.486881620     0.239737910     0.565529560 
C7 C     0.706214300     0.587018480     0.580344060 
C8 C     1.074118000     0.760742790     0.639024500 
C9 C     1.010632900     0.270304410     0.667001780 
C10 C     1.171535050     0.101862400     0.712910200 
C11 C     0.947632520    -0.257251900     0.698162720 
C12 C     0.635421720     0.069974940     0.609071560 
H1 H     1.957589120     0.298513380     0.852791670 
H2 H     1.607802880    -0.327463320     0.835154170 
H3 H     0.946749350    -0.687361670     0.733586780 
H4 H     0.407336520    -0.721717740     0.629293780 
H5 H     0.135705220    -0.436869750     0.551775250 
H6 H     0.201468250     0.094182400     0.520895970 
H7 H     0.601663450     0.725984570     0.548080790 
H8 H     1.253795840     1.035407910     0.651981680 
N3 N     0.047277630     0.204150550    -0.019547600 
N4 N     0.624684090     0.969697100     0.046719220 
N5 N     0.038991680     0.362102060    -0.056226090 
N6 N    -0.935572030    -0.893358430    -0.183108380 
N7 N    -0.609362130    -0.367681300    -0.164364440 
C13 C     0.223743780     0.504937660    -0.012331200 
C14 C    -0.352800360    -0.125573190    -0.111475230 
C15 C    -0.549546290    -0.445309820    -0.122065160 
C16 C    -0.357374190    -0.301211730    -0.075183610 
C17 C    -0.951687550    -0.822178650    -0.205710380 
H9 H     0.212410900     0.318735310     0.017646370 
H10 H     0.736313940     1.221238830     0.070309780 
H11 H     0.730698280     1.209012060     0.047436120 
H12 H    -1.156980950    -1.206467040    -0.205628620 
H13 H    -1.222881420    -1.116600190    -0.253087710 
O1 O    -0.490548620    -0.544271560    -0.077679210 

#END
data_-241.011_guan_phenan_33_239805 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,1/2+z
3 1/2-x,1/2+y,1/2+z
4 1/2+x,1/2-y,+z
_cell_length_a 9.5158
_cell_length_b 23.6814
_cell_length_c 7.0701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     1.015869290     0.557473690     0.610695750 
N2 N     0.750867640     0.513291980     0.668849690 
C1 C     1.142030330     0.579116000     0.583162390 
C2 C     1.173369240     0.637049670     0.598292460 
C3 C     1.066314070     0.673567230     0.644629080 
C4 C     0.814042960     0.687985670     0.723658770 
C5 C     0.683737430     0.666270120     0.752164180 
C6 C     0.523985590     0.583155300     0.763487980 
C7 C     0.505993270     0.525781520     0.744713110 
C8 C     0.623695510     0.492693890     0.696940930 
C9 C     0.769949790     0.569525230     0.686866290 
C10 C     0.909879890     0.592856730     0.656145850 
C11 C     0.929900720     0.652123450     0.675155420 
C12 C     0.658284960     0.606845750     0.734667710 
H1 H     1.224620410     0.549289030     0.546779460 
H2 H     1.279447720     0.651979110     0.573749210 
H3 H     1.085068950     0.718593020     0.658132710 
H4 H     0.832740890     0.733010320     0.737065780 
H5 H     0.596384510     0.693608940     0.788817980 
H6 H     0.436569630     0.610482780     0.800134200 
H7 H     0.404411740     0.506087330     0.765796430 
H8 H     0.612527010     0.447231850     0.681126360 
N3 N     0.690773750     0.779066940     0.182474750 
N4 N     0.571752400     0.693807450     0.229460910 
N5 N     0.441833880     0.775877860     0.189678930 
N6 N     0.531657830     0.919291900     0.129949550 
N7 N     0.334042840     0.868625260     0.158359540 
C13 C     0.563784330     0.751194310     0.197263120 
C14 C     0.447709930     0.833128590     0.168021420 
C15 C     0.572025770     0.863747730     0.150401110 
C16 C     0.707672060     0.838171880     0.157400450 
C17 C     0.388484980     0.919330050     0.135849400 
H9 H     0.781779740     0.757655000     0.200433010 
H10 H     0.649413700     0.672521000     0.163225920 
H11 H     0.476805400     0.674967880     0.219549650 
H12 H     0.596617210     0.952575840     0.114076310 
H13 H     0.328460510     0.957832180     0.122896670 
O1 O     0.823864080     0.859654900     0.146586720 

#END
data_-240.935_guan_phenan_14_288879 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 14.2818
_cell_length_b 24.0095
_cell_length_c 7.0409
_cell_angle_alpha 90.0
_cell_angle_beta 138.8128
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.133081230     0.692938550     1.106829780 
N2 N    -0.080785350     0.768407940     0.857344690 
C1 C     0.234433980     0.656443300     1.225213450 
C2 C     0.216245350     0.598318010     1.208239570 
C3 C     0.084946520     0.578056080     1.059305990 
C4 C    -0.165268320     0.597179940     0.771877590 
C5 C    -0.270402730     0.634282510     0.649328360 
C6 C    -0.352680610     0.732501900     0.548951600 
C7 C    -0.322339370     0.788381060     0.579988670 
C8 C    -0.183891150     0.804062240     0.737184730 
C9 C    -0.109168580     0.713452010     0.828452160 
C10 C     0.003763950     0.673599920     0.960207290 
C11 C    -0.026234150     0.615691240     0.929664850 
C12 C    -0.245408440     0.693039750     0.674084940 
H1 H     0.337071750     0.673618330     1.341491030 
H2 H     0.304170770     0.570682970     1.310700930 
H3 H     0.065472650     0.533602550     1.039836490 
H4 H    -0.184753150     0.552736920     0.752509050 
H5 H    -0.375461890     0.620046450     0.530156980 
H6 H    -0.457782130     0.718284950     0.429751900 
H7 H    -0.402023100     0.819886040     0.486868950 
H8 H    -0.156915390     0.847941910     0.765204180 
N3 N     0.164670700    -0.017933550     0.167006310 
N4 N     0.352372440     0.043028990     0.388286780 
N5 N     0.387727910    -0.051883090     0.401738630 
N6 N     0.174302930    -0.170473400     0.154681110 
N7 N     0.397303970    -0.153091370     0.400524770 
C13 C     0.303145080    -0.011102940     0.317481870 
C14 C     0.329451460    -0.103639040     0.332949390 
C15 C     0.190266500    -0.113424840     0.179382720 
C16 C     0.094234780    -0.069806270     0.082590650 
C17 C     0.301550630    -0.191674460     0.290958190 
H9 H     0.107488690     0.015455170     0.122639380 
H10 H     0.282952460     0.072765970     0.241271380 
H11 H     0.448326940     0.045924280     0.471080310 
H12 H     0.085500160    -0.191478250     0.055085240 
H13 H     0.318942820    -0.235958210     0.304208250 
O1 O    -0.028397040    -0.072338800    -0.049002560 

#END
data_-240.883_guan_phenan_14_473385 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 7.1996
_cell_length_b 23.8875
_cell_length_c 9.819
_cell_angle_alpha 90.0
_cell_angle_beta 67.7386
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.245305030     0.988847010     1.320206990 
N2 N     0.246554850     0.940244780     1.574971520 
C1 C     0.245134980     1.011579880     1.197748470 
C2 C     0.273136770     0.981220660     1.068529850 
C3 C     0.302534350     0.924328170     1.069282210 
C4 C     0.333799500     0.839362250     1.205656000 
C5 C     0.334511180     0.815467790     1.330885150 
C6 C     0.305249340     0.824876220     1.590606360 
C7 C     0.276315530     0.858826300     1.710119100 
C8 C     0.247544960     0.916514590     1.696076330 
C9 C     0.274744960     0.907396670     1.456905630 
C10 C     0.274099840     0.933060510     1.322373530 
C11 C     0.303824200     0.898414020     1.197996040 
C12 C     0.305203160     0.848604770     1.459080760 
H1 H     0.221517410     1.056598200     1.200293640 
H2 H     0.271276420     1.002576540     0.971700260 
H3 H     0.324699040     0.899052090     0.972517230 
H4 H     0.356079670     0.814082510     1.108899830 
H5 H     0.357312370     0.770743870     1.336085630 
H6 H     0.328071110     0.780143640     1.595863350 
H7 H     0.275377430     0.842091690     1.812946690 
H8 H     0.224372960     0.944340190     1.788763160 
N3 N    -0.179571110     0.722344340     1.106029930 
N4 N    -0.139856870     0.806803390     0.977576590 
N5 N    -0.175624620     0.724690390     0.863585940 
N6 N    -0.223448460     0.582395240     0.967286020 
N7 N    -0.201051240     0.632144850     0.768325770 
C13 C    -0.168389340     0.749641380     0.979188790 
C14 C    -0.192803510     0.667799190     0.875383170 
C15 C    -0.206751160     0.637747660     1.000478250 
C16 C    -0.200039470     0.663626110     1.129484000 
C17 C    -0.219128880     0.581903730     0.827306030 
H9 H    -0.161426000     0.744030650     1.188610720 
H10 H    -0.211178570     0.827621050     1.072670180 
H11 H    -0.153536550     0.825057010     0.889050780 
H12 H    -0.236082270     0.549509150     1.034540280 
H13 H    -0.229839600     0.543432170     0.772999360 
O1 O    -0.207789550     0.642655860     1.244749350 

#END
data_-240.858_guan_phenan_33_308332 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,1/2+z
3 1/2-x,1/2+y,1/2+z
4 1/2+x,1/2-y,+z
_cell_length_a 12.5363
_cell_length_b 13.9066
_cell_length_c 9.4037
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.362371310     0.522671840     0.091754320 
N2 N     0.276989220     0.626071680     0.315056010 
C1 C     0.403474480     0.472547240    -0.014076570 
C2 C     0.448583630     0.380408080     0.001334200 
C3 C     0.450131960     0.339721540     0.134683610 
C4 C     0.406322960     0.352507980     0.392070780 
C5 C     0.364392040     0.403359420     0.501874580 
C6 C     0.275478740     0.551357670     0.591670140 
C7 C     0.233573890     0.640818790     0.563690750 
C8 C     0.236450690     0.674792430     0.422692800 
C9 C     0.318350510     0.538182140     0.341069630 
C10 C     0.363443530     0.483583670     0.223159490 
C11 C     0.407019410     0.390966680     0.250664570 
C12 C     0.319558510     0.496959740     0.479540250 
H1 H     0.401153300     0.506431320    -0.118262040 
H2 H     0.480987350     0.343223400    -0.090244340 
H3 H     0.483943710     0.268851470     0.152127990 
H4 H     0.440177960     0.281674120     0.409564280 
H5 H     0.364086710     0.373917960     0.608726090 
H6 H     0.275163040     0.521947060     0.698573090 
H7 H     0.199040970     0.684649690     0.647096530 
H8 H     0.203921370     0.745266200     0.397509340 
N3 N     0.023340470     0.450824830     0.745096610 
N4 N    -0.039927610     0.586888000     0.625712950 
N5 N     0.034638990     0.462782650     0.494074220 
N6 N     0.155067560     0.241820970     0.584427960 
N7 N     0.123473510     0.325575530     0.385405280 
C13 C     0.006401220     0.497057140     0.617114840 
C14 C     0.085096040     0.375850620     0.499985060 
C15 C     0.103756410     0.325000440     0.625175640 
C16 C     0.073675410     0.360066920     0.761997020 
C17 C     0.164371110     0.246562890     0.440181710 
H9 H     0.004811750     0.484125240     0.837483650 
H10 H    -0.096880330     0.596274340     0.700359370 
H11 H    -0.060222520     0.612654130     0.528998120 
H12 H     0.180073050     0.189006800     0.649831440 
H13 H     0.201967180     0.189950240     0.379648720 
O1 O     0.086169530     0.324201800     0.879159230 

#END
data_-240.854_guan_phenan_14_967106 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 3.8546
_cell_length_b 41.2316
_cell_length_c 11.8522
_cell_angle_alpha 90.0
_cell_angle_beta 55.3991
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     1.104085700     0.381634960     0.880440740 
N2 N     0.651811990     0.337672220     1.091306320 
C1 C     1.320354140     0.402437430     0.778769790 
C2 C     1.438397680     0.396906100     0.644076180 
C3 C     1.321983300     0.368083020     0.616076220 
C4 C     0.960431120     0.314737500     0.699220830 
C5 C     0.738242510     0.293115400     0.802872840 
C6 C     0.396725950     0.278106500     1.047577040 
C7 C     0.299463020     0.286190320     1.175115020 
C8 C     0.435649190     0.316449610     1.191229820 
C9 C     0.749248560     0.330039440     0.965659590 
C10 C     0.988095670     0.353252440     0.854308840 
C11 C     1.090662560     0.345189620     0.721924060 
C12 C     0.627303620     0.300125160     0.938023600 
H1 H     1.408025570     0.425012280     0.803825210 
H2 H     1.616295130     0.415061530     0.565389640 
H3 H     1.405055380     0.362668760     0.513925060 
H4 H     1.043644800     0.309308450     0.597080040 
H5 H     0.640503510     0.270093130     0.785124450 
H6 H     0.298921110     0.255073250     1.029877260 
H7 H     0.122832590     0.269898030     1.261679660 
H8 H     0.363311040     0.323470800     1.290896570 
N3 N     0.616537060     0.509838520     0.840076580 
N4 N     0.925197280     0.476171680     0.647453270 
N5 N     0.716690530     0.527981560     0.633688280 
N6 N     0.206450930     0.591999860     0.870486310 
N7 N     0.440173590     0.582252820     0.652267670 
C13 C     0.754036060     0.506028620     0.704938590 
C14 C     0.521070740     0.555793240     0.704036660 
C15 C     0.378684330     0.561323280     0.839842110 
C16 C     0.415215860     0.537892820     0.921129370 
C17 C     0.253189400     0.603158870     0.754326790 
H9 H     0.633923050     0.491068340     0.891622200 
H10 H     1.102635790     0.465399670     0.674661190 
H11 H     1.058503130     0.475957470     0.545446080 
H12 H     0.073940870     0.603440410     0.961215850 
H13 H     0.144473320     0.626924580     0.749546310 
O1 O     0.300770780     0.539295110     1.040368250 

#END
data_-240.835_guan_phenan_15_2116745 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 20.0095
_cell_length_b 3.8013
_cell_length_c 52.7183
_cell_angle_alpha 90.0
_cell_angle_beta 128.9165
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N    -0.003105150     0.195327700     0.618210550 
N2 N    -0.031502540     0.032590990     0.661786000 
C1 C     0.011280390     0.271943240     0.597595420 
C2 C     0.088927550     0.200724120     0.603412660 
C3 C     0.154067990     0.041410990     0.632326670 
C4 C     0.206628140    -0.210601520     0.685560620 
C5 C     0.192685790    -0.290467490     0.706992520 
C6 C     0.095974790    -0.291358130     0.721510950 
C7 C     0.017412520    -0.209047310     0.713153180 
C8 C    -0.044272560    -0.046417480     0.682825650 
C9 C     0.045310130    -0.046841080     0.669688240 
C10 C     0.060308980     0.039111480     0.646679780 
C11 C     0.141277290    -0.044677800     0.655026540 
C12 C     0.112188820    -0.211313520     0.699694270 
H1 H    -0.041310520     0.397588270     0.574942780 
H2 H     0.096419870     0.270803830     0.585399920 
H3 H     0.215120330    -0.019210800     0.637958970 
H4 H     0.267695750    -0.271068080     0.691207890 
H5 H     0.242384360    -0.416008110     0.730078040 
H6 H     0.145667240    -0.416897770     0.744607390 
H7 H     0.002644390    -0.266590950     0.729284560 
H8 H    -0.106914940     0.021666180     0.675589640 
N3 N     0.185383070     0.625168190     1.009794870 
N4 N     0.035397910     0.646377700     0.975998110 
N5 N     0.110539130     0.412388870     1.027979770 
N6 N     0.330096550     0.253136470     1.092218300 
N7 N     0.205239230     0.158669980     1.082420990 
C13 C     0.111630030     0.559244840     1.005962250 
C14 C     0.189563240     0.320177600     1.055883340 
C15 C     0.266432990     0.382091500     1.061443230 
C16 C     0.270250350     0.543420340     1.037944830 
C17 C     0.289366260     0.123611320     1.103401590 
H9 H     0.181177250     0.721837300     0.990958780 
H10 H     0.034968600     0.867281960     0.965260180 
H11 H    -0.015274600     0.626271830     0.975793440 
H12 H     0.393633820     0.256368920     1.103702720 
H13 H     0.324378310     0.005409600     1.127241110 
O1 O     0.332195350     0.608629740     1.039359990 

#END
data_-240.822_guan_phenan_15_3494937 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 22.0028
_cell_length_b 15.0235
_cell_length_c 9.5934
_cell_angle_alpha 90.0
_cell_angle_beta 78.573
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.095542380     0.471308690    -0.055428080 
N2 N     0.169646870     0.360691230     0.069217540 
C1 C     0.060414990     0.524896880    -0.114615430 
C2 C     0.067138250     0.618098100    -0.120982180 
C3 C     0.113086650     0.656048390    -0.062071560 
C4 C     0.200248660     0.636592690     0.065509210 
C5 C     0.236665090     0.582215340     0.126853280 
C6 C     0.264702940     0.429679860     0.193105320 
C7 C     0.253752760     0.339518690     0.192941360 
C8 C     0.205368500     0.308526120     0.129168360 
C9 C     0.179912470     0.449297170     0.068640420 
C10 C     0.140779640     0.507710240     0.002831320 
C11 C     0.151627460     0.601081130     0.002271000 
C12 C     0.227558240     0.487713960     0.130082290 
H1 H     0.024495470     0.493103560    -0.160357140 
H2 H     0.036634910     0.658189070    -0.171251300 
H3 H     0.120185750     0.727564120    -0.064306740 
H4 H     0.207336500     0.708098420     0.063365070 
H5 H     0.273401100     0.609446110     0.174603530 
H6 H     0.301450790     0.456883260     0.240896870 
H7 H     0.281333410     0.292924180     0.240314590 
H8 H     0.195665030     0.237590790     0.127529150 
N3 N     0.419283550     0.452376670     0.907919380 
N4 N     0.413865300     0.588530760     1.027942010 
N5 N     0.421785060     0.458486400     1.153642900 
N6 N     0.426620890     0.230579720     1.063673130 
N7 N     0.425567910     0.311927700     1.259776930 
C13 C     0.419313710     0.497154990     1.033611480 
C14 C     0.423551470     0.367690280     1.147580700 
C15 C     0.424245490     0.318495900     1.024182080 
C16 C     0.421794940     0.358498270     0.890531390 
C17 C     0.427316320     0.231221100     1.205426760 
H9 H     0.413696310     0.486412760     0.820354020 
H10 H     0.435993660     0.619127890     0.938468250 
H11 H     0.420550770     0.618050270     1.118300800 
H12 H     0.427590960     0.177462850     0.999083410 
H13 H     0.429150810     0.170432500     1.264508000 
O1 O     0.421245150     0.323947630     0.775760200 

#END
data_-240.782_guan_phenan_14_104489 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 12.8125
_cell_length_b 15.641
_cell_length_c 9.6404
_cell_angle_alpha 90.0
_cell_angle_beta 118.8857
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.640727880     0.625533870     0.344548900 
N2 N     0.805447340     0.692869850     0.267701340 
C1 C     0.561620110     0.594140920     0.381357620 
C2 C     0.479122430     0.644263670     0.402577620 
C3 C     0.480611220     0.731387290     0.383927970 
C4 C     0.569859810     0.857733300     0.323699130 
C5 C     0.650879550     0.890847830     0.285990930 
C6 C     0.817763120     0.869188230     0.226788370 
C7 C     0.893963680     0.813837690     0.209072340 
C8 C     0.883798460     0.725845520     0.231018260 
C9 C     0.730137660     0.746488420     0.285402050 
C10 C     0.643162960     0.710934030     0.325992160 
C11 C     0.563831000     0.767484400     0.344629120 
C12 C     0.732690110     0.836502400     0.265943740 
H1 H     0.562428800     0.525107460     0.395319060 
H2 H     0.416524930     0.614264950     0.432798110 
H3 H     0.418811900     0.772802870     0.398907800 
H4 H     0.508128770     0.899165490     0.338756690 
H5 H     0.655082270     0.959220400     0.270313320 
H6 H     0.822014040     0.937574590     0.211109570 
H7 H     0.960424030     0.836605970     0.179026530 
H8 H     0.942891620     0.680631690     0.217794300 
N3 N     0.185551250     0.706255760     0.520012080 
N4 N     0.147864090     0.836299950     0.607233320 
N5 N     0.183610910     0.715746720     0.764176290 
N6 N     0.236163430     0.498690040     0.719611080 
N7 N     0.214963730     0.578427300     0.897385330 
C13 C     0.174634360     0.750496150     0.636308410 
C14 C     0.203569210     0.629629290     0.775331650 
C15 C     0.216606840     0.581357570     0.663212250 
C16 C     0.207736310     0.617202900     0.521826820 
C17 C     0.234151440     0.501277510     0.859625630 
H9 H     0.170778910     0.736416990     0.419318660 
H10 H     0.186244470     0.868528540     0.552872850 
H11 H     0.153120080     0.866852310     0.702712850 
H12 H     0.249102830     0.447504490     0.666206180 
H13 H     0.247317180     0.444568270     0.930092180 
O1 O     0.215565760     0.582734190     0.413755620 

#END
data_-240.769_guan_phenan_2_63055 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 10.1226
_cell_length_b 9.3198
_cell_length_c 22.1202
_cell_angle_alpha 141.7116
_cell_angle_beta 38.9623
_cell_angle_gamma 136.1505
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.906212480     0.631120490     0.919534550 
N2 N     1.241671650     0.440036840     0.769106170 
C1 C     0.746036290     0.723583840     0.992287210 
C2 C     0.673372760     0.884393680     1.108102720 
C3 C     0.774991010     0.949903520     1.148432790 
C4 C     1.059062780     0.916183870     1.110261210 
C5 C     1.223923570     0.822154910     1.036315730 
C6 C     1.461367290     0.558708030     0.840600300 
C7 C     1.518159560     0.403134480     0.729265110 
C8 C     1.402215880     0.349852840     0.698044640 
C9 C     1.184356960     0.592962330     0.878599130 
C10 C     1.007209050     0.693852350     0.958035090 
C11 C     0.946903300     0.854996350     1.073411480 
C12 C     1.290644890     0.659064470     0.919246530 
H1 H     0.668725990     0.668761730     0.958093240 
H2 H     0.540713780     0.953541180     1.163198700 
H3 H     0.725136030     1.073420410     1.236994160 
H4 H     1.009173700     1.039568100     1.198812110 
H5 H     1.308263340     0.869032970     1.064659240 
H6 H     1.545768500     0.605517210     0.868907660 
H7 H     1.648424710     0.322597490     0.666475720 
H8 H     1.443589690     0.227410310     0.610622500 
N3 N     0.851626700     0.579995520     0.522742160 
N4 N     0.593228580     0.316676540     0.465697400 
N5 N     0.669489690     0.729549950     0.559228780 
N6 N     1.010592830     1.242247920     0.680599730 
N7 N     0.769703120     1.168799380     0.665635380 
C13 C     0.707376160     0.551669690     0.516806210 
C14 C     0.783094260     0.953568250     0.613135270 
C15 C     0.932439820     0.994810130     0.621243620 
C16 C     0.978854470     0.804529240     0.575511490 
C17 C     0.907130100     1.335392060     0.704543150 
H9 H     0.863780670     0.433889170     0.493511780 
H10 H     0.674797490     0.190772390     0.398693050 
H11 H     0.508014500     0.306092190     0.453598270 
H12 H     1.121833020     1.332609240     0.701312480 
H13 H     0.938225660     1.527735850     0.750990790 
O1 O     1.102032350     0.814291670     0.577663870 

#END
data_-240.530_guan_phenan_14_442749 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 6.9306
_cell_length_b 9.3344
_cell_length_c 27.9285
_cell_angle_alpha 90.0
_cell_angle_beta 62.2042
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.542295210     0.507320300     0.115977880 
N2 N     0.719025530     0.729957610     0.043270960 
C1 C     0.458254170     0.399992640     0.150319980 
C2 C     0.455484490     0.256913510     0.134682530 
C3 C     0.545740960     0.226415680     0.080301620 
C4 C     0.733506480     0.313248460    -0.014887980 
C5 C     0.820306500     0.422713600    -0.050636210 
C6 C     0.907249420     0.682050040    -0.068484750 
C7 C     0.900522440     0.817607350    -0.048418190 
C8 C     0.803968380     0.835469150     0.008106890 
C9 C     0.724607570     0.596409410     0.024108840 
C10 C     0.631272940     0.478846400     0.062500780 
C11 C     0.637216050     0.338137370     0.042273540 
C12 C     0.818252880     0.566328190    -0.032243800 
H1 H     0.388116270     0.427179260     0.193029920 
H2 H     0.383665720     0.173912140     0.165062710 
H3 H     0.547784930     0.117837410     0.066172350 
H4 H     0.735465970     0.204713250    -0.029028070 
H5 H     0.892963440     0.403288970    -0.093868820 
H6 H     0.979924670     0.662682780    -0.111732660 
H7 H     0.967255420     0.909066130    -0.075015880 
H8 H     0.796351270     0.941433910     0.025094820 
N3 N     0.063569060     0.071757670     0.264414070 
N4 N    -0.153702020     0.187029720     0.232519140 
N5 N    -0.005039300     0.321278970     0.277165530 
N6 N     0.315831410     0.236002110     0.340926540 
N7 N     0.157727100     0.432053090     0.328679760 
C13 C    -0.026647840     0.198095100     0.258436810 
C14 C     0.114076400     0.317118640     0.304672760 
C15 C     0.211184590     0.193775920     0.311717230 
C16 C     0.191761800     0.056904940     0.291634070 
C17 C     0.277694960     0.379261450     0.349728080 
H9 H     0.029825440    -0.021642480     0.251513280 
H10 H    -0.103809440     0.117470440     0.201316170 
H11 H    -0.196292930     0.284052280     0.224444350 
H12 H     0.402268210     0.172095120     0.352975490 
H13 H     0.341783930     0.440605470     0.371918450 
O1 O     0.264808830    -0.058961480     0.295421310 

#END
data_-240.522_guan_phenan_14_321333 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 15.9455
_cell_length_b 9.483
_cell_length_c 13.9881
_cell_angle_alpha 90.0
_cell_angle_beta 127.3849
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     1.090451040     0.488210750     0.230664790 
N2 N     1.194345720     0.681700640     0.189013570 
C1 C     1.039858460     0.396281580     0.249667400 
C2 C     0.929145180     0.386508240     0.178753230 
C3 C     0.869587260     0.478144560     0.083633180 
C4 C     0.863021470     0.676354360    -0.037322410 
C5 C     0.914095780     0.771531430    -0.057771290 
C6 C     1.082205170     0.874179650    -0.001540440 
C7 C     1.190796680     0.873801080     0.073877480 
C8 C     1.243079040     0.774729120     0.168188950 
C9 C     1.087794280     0.680943130     0.115653580 
C10 C     1.032931240     0.578779120     0.137650690 
C11 C     0.920639540     0.578052530     0.060299820 
C12 C     1.027119830     0.776406820     0.017645460 
H1 H     1.088892700     0.325155880     0.325404090 
H2 H     0.892709740     0.308409710     0.199446460 
H3 H     0.783986890     0.474827230     0.026234520 
H4 H     0.777433810     0.673119980    -0.094687890 
H5 H     0.870095860     0.845736750    -0.131786830 
H6 H     1.038232640     0.948438160    -0.075554560 
H7 H     1.235775770     0.947304270     0.061907620 
H8 H     1.328878270     0.772061860     0.229196740 
N3 N     0.531838510     0.327015710     0.315710740 
N4 N     0.418560600     0.440193180     0.129883880 
N5 N     0.507321440     0.574716380     0.304189150 
N6 N     0.680712290     0.492911350     0.613549910 
N7 N     0.603980610     0.686711310     0.500907590 
C13 C     0.488703150     0.451930120     0.253487830 
C14 C     0.573331150     0.571794620     0.427021180 
C15 C     0.620270400     0.449832160     0.495208710 
C16 C     0.602058990     0.313410880     0.442892810 
C17 C     0.667586620     0.635270100     0.610768540 
H9 H     0.509216640     0.234337340     0.270696950 
H10 H     0.435059140     0.367578270     0.090668400 
H11 H     0.398194640     0.535311390     0.089032220 
H12 H     0.725100570     0.430079600     0.686242340 
H13 H     0.706583780     0.696999320     0.692166400 
O1 O     0.636353870     0.198815090     0.491126020 

#END
data_-240.498_guan_phenan_33_410086 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,1/2+z
3 1/2-x,1/2+y,1/2+z
4 1/2+x,1/2-y,+z
_cell_length_a 5.9405
_cell_length_b 29.2291
_cell_length_c 9.2597
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     1.043249280     0.368013850     0.467293960 
N2 N     0.853735510     0.368423140     0.739543550 
C1 C     1.135538940     0.367558520     0.337651510 
C2 C     1.332133030     0.343057430     0.302518930 
C3 C     1.435152940     0.317970310     0.409468910 
C4 C     1.441331740     0.292139810     0.665490610 
C5 C     1.348227080     0.292356820     0.799362350 
C6 C     1.047418310     0.318838460     0.966634690 
C7 C     0.854877160     0.344095920     0.988149030 
C8 C     0.764824380     0.368353900     0.870162280 
C9 C     1.042668460     0.343770350     0.716982240 
C10 C     1.142752690     0.343556290     0.573225290 
C11 C     1.341865420     0.317567850     0.549539400 
C12 C     1.147696700     0.318004780     0.828586490 
H1 H     1.050563370     0.387668320     0.255233090 
H2 H     1.398948560     0.344196640     0.193696110 
H3 H     1.586956230     0.298476690     0.387863040 
H4 H     1.593183890     0.272666530     0.643946140 
H5 H     1.424235150     0.273054650     0.886770250 
H6 H     1.123390150     0.299541290     1.054108030 
H7 H     0.773148180     0.345544610     1.092664250 
H8 H     0.612789740     0.388611230     0.884067150 
N3 N     0.913157870     0.518394900     0.214865020 
N4 N     1.160987480     0.467367520     0.102752270 
N5 N     0.869986730     0.498731330    -0.031962470 
N6 N     0.420122290     0.573079380     0.050215040 
N7 N     0.541476080     0.534022730    -0.142767830 
C13 C     0.976686340     0.495838670     0.090330050 
C14 C     0.683130700     0.525921050    -0.028628720 
C15 C     0.611032190     0.549949760     0.092786940 
C16 C     0.723941710     0.547761250     0.228595790 
C17 C     0.387780410     0.562138900    -0.091366360 
H9 H     0.996433530     0.512537090     0.308337740 
H10 H     1.287690920     0.477985750     0.167249610 
H11 H     1.213094880     0.455600160     0.005788180 
H12 H     0.325747080     0.593749520     0.112873790 
H13 H     0.248290460     0.575739950    -0.152580610 
O1 O     0.678356030     0.566272250     0.342942000 

#END
data_-240.462_guan_phenan_4_78447 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,-z
_cell_length_a 10.7641
_cell_length_b 9.5534
_cell_length_c 7.718
_cell_angle_alpha 90.0
_cell_angle_beta 80.5541
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     1.126774750     0.635647170     0.265718840 
N2 N     1.019271180     0.897864330     0.263033960 
C1 C     1.179129460     0.510859370     0.267671010 
C2 C     1.291041930     0.484232920     0.334206340 
C3 C     1.349888770     0.594688430     0.401549920 
C4 C     1.353816130     0.849008000     0.470025390 
C5 C     1.300999780     0.977942370     0.468633550 
C6 C     1.129939370     1.131314360     0.395924240 
C7 C     1.020313150     1.144595380     0.327413710 
C8 C     0.968838590     1.023748440     0.262443670 
C9 C     1.126841430     0.883395950     0.329923730 
C10 C     1.183614930     0.744935920     0.331331550 
C11 C     1.296981140     0.729777890     0.401843140 
C12 C     1.186835140     0.998537410     0.399014420 
H1 H     1.130600430     0.425510040     0.213687760 
H2 H     1.328920890     0.379036500     0.331717250 
H3 H     1.436315230     0.579618540     0.454488910 
H4 H     1.440268110     0.833991840     0.522874180 
H5 H     1.344427940     1.067861640     0.520380710 
H6 H     1.173346560     1.221295330     0.447650980 
H7 H     0.973929900     1.244878500     0.322868790 
H8 H     0.882269510     1.031172090     0.207501490 
N3 N     0.446852540     0.337942000    -0.039738260 
N4 N     0.603078130     0.222557020     0.083341650 
N5 N     0.434897950     0.093728990     0.014903650 
N6 N     0.159898630     0.181447980    -0.154461380 
N7 N     0.244081100    -0.011892690    -0.057443520 
C13 C     0.492141730     0.213503560     0.016257370 
C14 C     0.322559310     0.099502500    -0.045211680 
C15 C     0.272126750     0.221103990    -0.105149720 
C16 C     0.332277720     0.354246290    -0.106231420 
C17 C     0.148725030     0.041277170    -0.122760000 
H9 H     0.492692240     0.428609950    -0.025650600 
H10 H     0.668644570     0.290411140     0.024466230 
H11 H     0.638014550     0.127190660     0.105059440 
H12 H     0.099542350     0.244972150    -0.203716670 
H13 H     0.068471580    -0.017593430    -0.149927520 
O1 O     0.298457800     0.468242480    -0.152250520 

#END
data_-240.447_guan_phenan_15_2575367 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 29.4726
_cell_length_b 10.1474
_cell_length_c 24.452
_cell_angle_alpha 90.0
_cell_angle_beta 26.0658
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.093206680     0.827635470     0.526903060 
N2 N     0.113667510     0.638256790     0.424404680 
C1 C     0.083587780     0.919106950     0.575348460 
C2 C     0.087281940     1.055473010     0.560877840 
C3 C     0.101780720     1.096525750     0.492105990 
C4 C     0.127764860     1.038366850     0.366077040 
C5 C     0.137874250     0.945263800     0.315631060 
C6 C     0.143733860     0.708969820     0.282270050 
C7 C     0.138826480     0.578540310     0.302733990 
C8 C     0.123591350     0.548680350     0.374881430 
C9 C     0.118320700     0.766607050     0.405043830 
C10 C     0.107523970     0.866609570     0.459159380 
C11 C     0.112439530     1.001851330     0.438709170 
C12 C     0.133460340     0.807757880     0.333606970 
H1 H     0.072182440     0.883859590     0.629263170 
H2 H     0.078829470     1.125317230     0.603247790 
H3 H     0.105129180     1.200528640     0.478276880 
H4 H     0.131175640     1.142343950     0.352172170 
H5 H     0.149484730     0.973442570     0.260699370 
H6 H     0.155359770     0.737101160     0.227305130 
H7 H     0.146378420     0.499981170     0.264810460 
H8 H     0.119427400     0.446422570     0.392531220 
N3 N     0.283068340     0.913359050     0.459080620 
N4 N     0.188764510     1.093997220     0.593344790 
N5 N     0.345480870     1.131324380     0.380336470 
N6 N     0.537084060     0.922964270     0.117768330 
N7 N     0.514819300     1.139906010     0.153931530 
C13 C     0.275512340     1.048482630     0.472631250 
C14 C     0.430343790     1.074059830     0.265345970 
C15 C     0.442414390     0.938727520     0.245145470 
C16 C     0.367287570     0.844862700     0.343916340 
C17 C     0.576274710     1.046635500     0.068813640 
H9 H     0.228462640     0.854353880     0.534796200 
H10 H     0.121879900     1.045736250     0.658745150 
H11 H     0.182288600     1.193042340     0.598075060 
H12 H     0.569458730     0.836491080     0.071877820 
H13 H     0.650636910     1.063393440    -0.030426840 
O1 O     0.368360850     0.724901980     0.339811340 

#END
data_-240.421_guan_phenan_61_38611 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,+z
7 +x,1/2-y,1/2+z
8 1/2+x,+y,1/2-z
_cell_length_a 13.8513
_cell_length_b 23.7875
_cell_length_c 9.5071
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.412296470     0.556748430     0.709753960 
N2 N     0.371652740     0.512477730     0.447913250 
C1 C     0.431743550     0.578429040     0.834356570 
C2 C     0.440568940     0.636458720     0.860596280 
C3 C     0.428222330     0.673035670     0.749942710 
C4 C     0.393792830     0.687465390     0.495616560 
C5 C     0.373855520     0.665701440     0.366865380 
C6 C     0.345123710     0.582433870     0.214084060 
C7 C     0.338228720     0.524964840     0.201181250 
C8 C     0.352228800     0.491834510     0.322204520 
C9 C     0.378597490     0.568806090     0.462011120 
C10 C     0.400065980     0.592183890     0.600272090 
C11 C     0.407375190     0.651550580     0.615039540 
C12 C     0.365765820     0.606176930     0.346663940 
H1 H     0.441114590     0.548556320     0.919870540 
H2 H     0.456685480     0.651413650     0.965657640 
H3 H     0.434230360     0.718141940     0.764716380 
H4 H     0.399849420     0.732564920     0.510334300 
H5 H     0.363658540     0.693078340     0.276797920 
H6 H     0.334927600     0.609798360     0.123954580 
H7 H     0.322467280     0.505229240     0.101059210 
H8 H     0.347222340     0.446294960     0.315078610 
N3 N     0.849458460     0.279675280     0.989640910 
N4 N     0.830363110     0.194555970     0.869709300 
N5 N     0.859354340     0.275682340     0.740906300 
N6 N     0.887693630     0.418550620     0.831370200 
N7 N     0.883042400     0.367539700     0.633477200 
C13 C     0.848327720     0.251548660     0.862590450 
C14 C     0.871195920     0.332620970     0.746977100 
C15 C     0.873968700     0.363463240     0.871476470 
C16 C     0.862472200     0.338485730     1.006876420 
C17 C     0.892528810     0.418123700     0.688176020 
H9 H     0.834912860     0.258727720     1.079774940 
H10 H     0.859385520     0.173411590     0.951520810 
H11 H     0.840225680     0.175448500     0.775922760 
H12 H     0.892879500     0.451850520     0.896495920 
H13 H     0.903173710     0.456204830     0.628334040 
O1 O     0.862043980     0.360228380     1.123038690 

#END
data_-240.359_guan_phenan_14_499449 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 8.7422
_cell_length_b 23.8201
_cell_length_c 9.81
_cell_angle_alpha 90.0
_cell_angle_beta 49.7145
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.748460500     0.940048560     0.282361490 
N2 N     0.758330000     0.989100030     0.021767800 
C1 C     0.743233730     0.916108930     0.406648950 
C2 C     0.704863160     0.858660280     0.450271640 
C3 C     0.670617180     0.825191760     0.358095350 
C4 C     0.640234820     0.816538250     0.123673980 
C5 C     0.644990320     0.840656650    -0.004390740 
C6 C     0.690658930     0.925583380    -0.175091990 
C7 C     0.729687810     0.982195150    -0.205978990 
C8 C     0.762573050     1.012053190    -0.103090030 
C9 C     0.720225780     0.933579290     0.053380290 
C10 C     0.714999350     0.907677640     0.190993930 
C11 C     0.674827330     0.849164300     0.224230120 
C12 C     0.684845310     0.899441740    -0.042793240 
H1 H     0.770875200     0.943545540     0.477316410 
H2 H     0.702747430     0.841735900     0.554002390 
H3 H     0.640466910     0.780653800     0.386622020 
H4 H     0.609971490     0.772012390     0.152232110 
H5 H     0.618656930     0.815767420    -0.080102530 
H6 H     0.664308020     0.900708460    -0.250849990 
H7 H     0.735362750     1.003705450    -0.306497820 
H8 H     0.793703670     1.056848210    -0.124618420 
N3 N     0.159077120     0.777440510     0.966596050 
N4 N     0.116292310     0.692901920     0.873546600 
N5 N     0.160149570     0.774981360     0.724401290 
N6 N     0.215470070     0.917453110     0.783137850 
N7 N     0.193910550     0.867586240     0.602566040 
C13 C     0.148738950     0.750063880     0.848673940 
C14 C     0.180951930     0.831937890     0.719476040 
C15 C     0.194290340     0.862060610     0.833173590 
C16 C     0.183056810     0.836217480     0.970619870 
C17 C     0.214161610     0.917895140     0.644955140 
H9 H     0.137629550     0.755837290     1.066520140 
H10 H     0.184530330     0.671697660     0.910327680 
H11 H     0.130716950     0.674479940     0.773014720 
H12 H     0.228916600     0.950394400     0.839230650 
H13 H     0.228652720     0.956382850     0.579288370 
O1 O     0.189772940     0.857262780     1.079979450 

#END
data_-240.211_guan_phenan_15_1087897 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y,1/2-z
3 1/2+x,1/2+y,+z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 +x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a 33.0261
_cell_length_b 6.6448
_cell_length_c 20.2387
_cell_angle_alpha 90.0
_cell_angle_beta 44.9405
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.184500510     1.083680400     0.427837250 
N2 N     0.264187650     1.089884860     0.234952530 
C1 C     0.145984580     1.080679090     0.520079900 
C2 C     0.086476630     1.066654460     0.578136570 
C3 C     0.067010500     1.055301770     0.536558380 
C4 C     0.089204600     1.046874730     0.390699360 
C5 C     0.128378630     1.050020820     0.295868390 
C6 C     0.230083990     1.068160550     0.141834360 
C7 C     0.287160790     1.082314090     0.092380210 
C8 C     0.301854170     1.092781500     0.142798210 
C9 C     0.208039710     1.076004880     0.284313190 
C10 C     0.165960120     1.072742760     0.386165480 
C11 C     0.106796200     1.058117700     0.438133370 
C12 C     0.188465240     1.064575230     0.240446470 
H1 H     0.162574780     1.089796960     0.551045520 
H2 H     0.057196650     1.064984400     0.653512890 
H3 H     0.021558970     1.044166900     0.578217310 
H4 H     0.043761570     1.035856380     0.432331210 
H5 H     0.114829940     1.041511430     0.260308480 
H6 H     0.216554910     1.059674790     0.106229650 
H7 H     0.320327380     1.085447130     0.016602810 
H8 H     0.346641200     1.104100900     0.105518620 
N3 N     0.018519390     0.499431390     0.896690150 
N4 N    -0.042727860     0.554646060     0.877764320 
N5 N     0.054291360     0.507200100     0.745765440 
N6 N     0.174581580     0.434820980     0.709723390 
N7 N     0.157927070     0.468104810     0.620524600 
C13 C     0.012196910     0.516840500     0.836394390 
C14 C     0.106986160     0.480621250     0.712951200 
C15 C     0.116287620     0.460028550     0.769863220 
C16 C     0.071222380     0.469107060     0.869476910 
C17 C     0.196920370     0.441041840     0.621722400 
H9 H    -0.015640570     0.519894250     0.966187550 
H10 H    -0.075105850     0.485528310     0.939271690 
H11 H    -0.045681000     0.545232020     0.831479240 
H12 H     0.195626190     0.415899980     0.728465660 
H13 H     0.242319560     0.424858530     0.560345710 
O1 O     0.073249130     0.456317510     0.927199290 

#END
data_-240.172_guan_phenan_2_631544 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 13.413
_cell_length_b 7.108
_cell_length_c 10.1872
_cell_angle_alpha 63.5448
_cell_angle_beta 92.4039
_cell_angle_gamma 70.2183
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.245178110     0.066657260     0.544648880 
N2 N     0.091872170     0.130918220     0.710198210 
C1 C     0.317662310     0.036684650     0.464337140 
C2 C     0.290971080     0.093322250     0.312549040 
C3 C     0.182785240     0.185710960     0.243019660 
C4 C    -0.011196090     0.315820460     0.258927250 
C5 C    -0.086572000     0.347318410     0.340333480 
C6 C    -0.130937310     0.317043300     0.581845880 
C7 C    -0.095105570     0.255115200     0.729479070 
C8 C     0.017798970     0.162411310     0.788147350 
C9 C     0.057790010     0.191009850     0.565191490 
C10 C     0.138741400     0.157063650     0.477774550 
C11 C     0.102756200     0.220431180     0.324965720 
C12 C    -0.054366470     0.286190070     0.494656980 
H1 H     0.402522900    -0.036541380     0.522112060 
H2 H     0.354700420     0.064104510     0.253226140 
H3 H     0.157986170     0.232375210     0.126172250 
H4 H    -0.036017220     0.362374700     0.142126070 
H5 H    -0.172736660     0.419555070     0.289802050 
H6 H    -0.217134370     0.389269160     0.531361820 
H7 H    -0.151516850     0.276318780     0.799872720 
H8 H     0.048423090     0.111910580     0.904504300 
N3 N     0.481123870     0.455944190     0.676724420 
N4 N     0.536501170     0.611228500     0.811365230 
N5 N     0.442075150     0.380667960     0.915620380 
N6 N     0.322724060     0.100778590     0.789236950 
N7 N     0.335352480     0.148488990     0.991380110 
C13 C     0.485562460     0.474801480     0.805816750 
C14 C     0.388699420     0.260608300     0.893351850 
C15 C     0.382045760     0.233033860     0.766623730 
C16 C     0.428962780     0.332956760     0.644179530 
C17 C     0.297372680     0.056112220     0.925287270 
H9 H     0.511352130     0.544453370     0.592013160 
H10 H     0.602645610     0.605218160     0.766889830 
H11 H     0.547084860     0.599560300     0.913888380 
H12 H     0.302910140     0.049357190     0.718045350 
H13 H     0.250631680    -0.045648800     0.971445460 
O1 O     0.428171990     0.325552020     0.526839490 

#END
data_-240.159_guan_phenan_61_301492 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 1/2+x,1/2-y,-z
3 -x,1/2+y,1/2-z
4 1/2-x,-y,1/2+z
5 -x,-y,-z
6 1/2-x,1/2+y,+z
7 +x,1/2-y,1/2+z
8 1/2+x,+y,1/2-z
_cell_length_a 9.679
_cell_length_b 22.1855
_cell_length_c 15.5761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.158354970     0.428093620     0.197953140 
N2 N     0.343387050     0.343433410     0.137468160 
C1 C     0.070059820     0.468341620     0.227663820 
C2 C     0.035818730     0.474764850     0.315044880 
C3 C     0.097909450     0.436884150     0.373376360 
C4 C     0.260864500     0.352459060     0.401771350 
C5 C     0.351787420     0.310815540     0.372034040 
C6 C     0.476480920     0.263602210     0.249586240 
C7 C     0.501780710     0.261553100     0.162714520 
C8 C     0.431998110     0.302754170     0.109354450 
C9 C     0.317656780     0.345925670     0.222579600 
C10 C     0.219944260     0.390626970     0.254519340 
C11 C     0.192882580     0.393222900     0.344223820 
C12 C     0.382471750     0.306434780     0.282229200 
H1 H     0.022580890     0.497686520     0.180150030 
H2 H    -0.037672750     0.508824310     0.335049190 
H3 H     0.075067430     0.440042010     0.441444930 
H4 H     0.237990430     0.355581210     0.469827580 
H5 H     0.402947580     0.280054310     0.415875010 
H6 H     0.527672220     0.232817720     0.293409300 
H7 H     0.573319490     0.229280040     0.135324700 
H8 H     0.449981730     0.302145400     0.040435080 
N3 N     0.643530030     0.879926630     0.705614570 
N4 N     0.756380840     0.870917820     0.837760730 
N5 N     0.887414510     0.887126560     0.715155190 
N6 N     0.806872650     0.900335900     0.495087590 
N7 N     0.998166760     0.899636170     0.575984250 
C13 C     0.766601490     0.880501160     0.750450780 
C14 C     0.884749640     0.892842010     0.627880730 
C15 C     0.764328240     0.893222750     0.578897990 
C16 C     0.630001930     0.886278520     0.615289510 
C17 C     0.947397070     0.903888680     0.497744310 
H9 H     0.553928010     0.871127800     0.736600610 
H10 H     0.674449080     0.889345280     0.868114030 
H11 H     0.847209540     0.877969900     0.868072690 
H12 H     0.744872000     0.902368080     0.443175650 
H13 H     1.008330650     0.909645270     0.440255330 
O1 O     0.517254780     0.884956100     0.580395430 

#END
data_-240.002_guan_phenan_14_363886 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 13.1633
_cell_length_b 10.1396
_cell_length_c 22.335
_cell_angle_alpha 90.0
_cell_angle_beta 31.964
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.682755350     0.635079000     0.975009570 
N2 N     0.762804970     0.430557400     0.857292810 
C1 C     0.643959030     0.731965370     1.031964970 
C2 C     0.583161550     0.712993550     1.121864810 
C3 C     0.562688640     0.585832010     1.152626010 
C4 C     0.583973310     0.344876600     1.121944380 
C5 C     0.623239270     0.244317830     1.064107910 
C6 C     0.726360110     0.167296980     0.911782340 
C7 C     0.784728630     0.197936300     0.825418070 
C8 C     0.800568030     0.331925580     0.801697110 
C9 C     0.705425380     0.401836440     0.942223510 
C10 C     0.663141500     0.509831600     1.004389940 
C11 C     0.602674530     0.479479780     1.093885500 
C12 C     0.684626810     0.269863790     0.973274520 
H1 H     0.661415950     0.831412760     1.005828670 
H2 H     0.553697110     0.797137730     1.165053520 
H3 H     0.516335700     0.565978780     1.221309070 
H4 H     0.537525290     0.324991040     1.190654250 
H5 H     0.608808900     0.142592720     1.085710360 
H6 H     0.711930100     0.065527350     0.933363090 
H7 H     0.818047190     0.121806050     0.776338600 
H8 H     0.846345230     0.359016120     0.733909130 
N3 N     1.015735180     0.335414780     0.473142450 
N4 N     0.936959010     0.155937990     0.573537180 
N5 N     1.050160660     0.115967850     0.420926880 
N6 N     1.182882680     0.321214550     0.233953420 
N7 N     1.157777190     0.104236950     0.263571240 
C13 C     1.005951910     0.200192380     0.484720450 
C14 C     1.106224500     0.171760030     0.340069760 
C15 C     1.120987240     0.307154110     0.323145160 
C16 C     1.074405560     0.402527870     0.391093520 
C17 C     1.202111530     0.196573020     0.202281420 
H9 H     0.968718240     0.395218080     0.529799130 
H10 H     0.975610830     0.207273230     0.591024490 
H11 H     0.951625580     0.057331890     0.570719120 
H12 H     1.207959080     0.407269110     0.200221250 
H13 H     1.249409790     0.178420580     0.133337050 
O1 O     1.078165150     0.522651240     0.386784700 

#END
data_-239.950_guan_phenan_2_1135431 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,-y,-z
_cell_length_a 10.1366
_cell_length_b 7.5658
_cell_length_c 21.1947
_cell_angle_alpha 34.8582
_cell_angle_beta 58.3624
_cell_angle_gamma 67.2906
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.758884210     1.309373260     0.469276430 
N2 N     0.452336880     1.071740580     0.627687460 
C1 C     0.905734640     1.421763820     0.394391680 
C2 C     1.021577790     1.372149770     0.424573470 
C3 C     0.979844360     1.195769210     0.539069380 
C4 C     0.773312790     0.886142810     0.742312740 
C5 C     0.622585000     0.769425430     0.820183590 
C6 C     0.352489150     0.709682690     0.863213280 
C7 C     0.249568730     0.773752010     0.823501000 
C8 C     0.306134320     0.956917160     0.704245750 
C9 C     0.554524090     1.010547420     0.665532110 
C10 C     0.716393660     1.136044260     0.581882820 
C11 C     0.824010790     1.071454370     0.621835520 
C12 C     0.509814790     0.828028260     0.784174810 
H1 H     0.935436720     1.560191140     0.304543990 
H2 H     1.140115540     1.471511540     0.358567030 
H3 H     1.064817780     1.150616470     0.566783200 
H4 H     0.858223790     0.841099840     0.770031100 
H5 H     0.584809860     0.629328040     0.911284050 
H6 H     0.314638120     0.569562390     0.954343690 
H7 H     0.127892080     0.686816000     0.881645200 
H8 H     0.227373200     1.011282330     0.670439560 
N3 N     0.810973420     0.942872260     0.037427160 
N4 N     0.715933040     1.111150600    -0.084237970 
N5 N     0.546884190     0.823470860     0.109824130 
N6 N     0.592418450     0.462560550     0.351378410 
N7 N     0.400269520     0.500258270     0.318711490 
C13 C     0.685547480     0.955776360     0.025048930 
C14 C     0.533408890     0.662079700     0.215883370 
C15 C     0.654675590     0.642242040     0.234041190 
C16 C     0.808120970     0.784922020     0.143194650 
C17 C     0.440368240     0.385430230     0.396860940 
H9 H     0.917666940     1.036200880    -0.030041240 
H10 H     0.791856570     1.303035260    -0.158110110 
H11 H     0.617513830     1.140378240    -0.092318150 
H12 H     0.649793170     0.402766750     0.393423390 
H13 H     0.363167280     0.243766130     0.488346940 
O1 O     0.924503940     0.783148420     0.147098680 

#END
data_-239.949_guan_phenan_14_153659 
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 +x,1/2-y,1/2+z
_cell_length_a 24.1199
_cell_length_b 9.8391
_cell_length_c 18.6449
_cell_angle_alpha 90.0
_cell_angle_beta 20.6347
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N     0.292301070     0.591095920     0.271315270 
N2 N     0.261445550     0.337643770     0.246694340 
C1 C     0.307558180     0.711663400     0.283078390 
C2 C     0.367352960     0.732507400     0.280251550 
C3 C     0.412913560     0.620687300     0.264233050 
C4 C     0.443770970     0.369620080     0.234552150 
C5 C     0.428534450     0.245001480     0.222544090 
C6 C     0.349650290     0.102009690     0.214011380 
C7 C     0.289619300     0.094221110     0.218281430 
C8 C     0.247227560     0.215916420     0.234886080 
C9 C     0.320221110     0.346700370     0.242634520 
C10 C     0.336504960     0.480532990     0.255649840 
C11 C     0.398452590     0.489989300     0.251366400 
C12 C     0.366758110     0.230219830     0.226232050 
H1 H     0.270690730     0.798210490     0.295557610 
H2 H     0.376678070     0.834451560     0.290528020 
H3 H     0.459827780     0.631355290     0.261280810 
H4 H     0.490598210     0.380243540     0.231713220 
H5 H     0.462989690     0.154199320     0.209877910 
H6 H     0.384080600     0.011149500     0.201361810 
H7 H     0.274808460    -0.002449750     0.209204260 
H8 H     0.199435470     0.212792320     0.238660320 
N3 N     0.040802760     0.097145680     0.732353790 
N4 N    -0.024949620    -0.022936170     0.707937200 
N5 N     0.037821330    -0.143771710     0.734924310 
N6 N     0.160921830    -0.048860590     0.759491580 
N7 N     0.119808580    -0.242874960     0.749299400 
C13 C     0.017203440    -0.027235320     0.728346110 
C14 C     0.088046760    -0.134906540     0.743529420 
C15 C     0.112644140    -0.012921130     0.749986550 
C16 C     0.090807780     0.116822160     0.743737930 
C17 C     0.162709240    -0.187364530     0.758613960 
H9 H     0.031239140     0.183721850     0.715001300 
H10 H    -0.098265410     0.052429350     0.781402720 
H11 H    -0.056122090    -0.115417840     0.726936450 
H12 H     0.188808180     0.015845330     0.765668050 
H13 H     0.196491550    -0.243272850     0.765111950 
O1 O     0.109786500     0.230379980     0.745500940 

#END