#======================================================================

# CRYSTAL DATA

#----------------------------------------------------------------------

data_VESTA_phase_1


_chemical_name_common                  'na88.03 p8 s96 sn16                   '
_cell_length_a                         14.01034
_cell_length_b                         14.00092
_cell_length_c                         27.58930
_cell_angle_alpha                      90.10458
_cell_angle_beta                       89.68592
_cell_angle_gamma                      89.93560
_space_group_name_H-M_alt              'P 1'
_space_group_IT_number                 1

loop_
_space_group_symop_operation_xyz
   'x, y, z'

loop_
   _atom_site_label
   _atom_site_occupancy
   _atom_site_fract_x
   _atom_site_fract_y
   _atom_site_fract_z
   _atom_site_adp_type
   _atom_site_B_iso_or_equiv
   _atom_site_type_symbol
   Sn1        1.0     0.211633      0.511976      0.250555     Biso  1.000000 Sn
   Sn2        1.0     0.792479      0.495468      0.749325     Biso  1.000000 Sn
   Sn3        1.0     0.289462      0.490046      0.749958     Biso  1.000000 Sn
   Sn4        1.0     0.707826      0.502457      0.247035     Biso  1.000000 Sn
   Sn5        1.0     0.252053      0.054681      0.499682     Biso  1.000000 Sn
   Sn6        1.0     0.744459      0.041523      0.001678     Biso  1.000000 Sn
   Sn7        1.0     0.246797      0.958340      0.998846     Biso  1.000000 Sn
   Sn8        1.0     0.711670      0.993823      0.751551     Biso  1.000000 Sn
   Sn9        1.0     0.285942      0.009839      0.250388     Biso  1.000000 Sn
   Sn10       1.0     0.790317      0.005608      0.251732     Biso  1.000000 Sn
   Sn11       1.0     0.215651      0.990869      0.752114     Biso  1.000000 Sn
   Sn12       1.0     0.239488      0.462048      0.000278     Biso  1.000000 Sn
   Sn13       1.0     0.741304      0.537246      0.000333     Biso  1.000000 Sn
   Sn14       1.0     0.756381      0.453409      0.500467     Biso  1.000000 Sn
   Sb1        1.0     0.754348      0.953773      0.500842     Biso  1.000000 Sb
   Sb2        1.0     0.258004      0.547691      0.499647     Biso  1.000000 Sb
   Sb3        1.0     0.503558      0.252489      0.123960     Biso  1.000000 Sb
   Sb4        1.0     0.498290      0.754809      0.874573     Biso  1.000000 Sb
   Sb5        1.0     0.998442      0.746553      0.622885     Biso  1.000000 Sb
   Sb6        1.0     0.997824      0.249892      0.372959     Biso  1.000000 Sb
   Sb7        1.0     0.996385      0.249039      0.875274     Biso  1.000000 Sb
   Sb8        1.0     0.998696      0.755240      0.124334     Biso  1.000000 Sb
   Sb9        1.0     0.502241      0.746872      0.373326     Biso  1.000000 Sb
   Sb10       1.0     0.504405      0.245054      0.627321     Biso  1.000000 Sb
   S1         1.0     0.405941      0.349499      0.174089     Biso  1.000000 S
   S2         1.0     0.609048      0.669820      0.826224     Biso  1.000000 S
   S3         1.0     0.090558      0.647629      0.674554     Biso  1.000000 S
   S4         1.0     0.887545      0.334517      0.324900     Biso  1.000000 S
   S5         1.0     0.916321      0.137937      0.421947     Biso  1.000000 S
   S6         1.0     0.092828      0.864843      0.585754     Biso  1.000000 S
   S7         1.0     0.580838      0.861977      0.925682     Biso  1.000000 S
   S8         1.0     0.418590      0.141490      0.076298     Biso  1.000000 S
   S9         1.0     0.100682      0.333395      0.822891     Biso  1.000000 S
   S10        1.0     0.904776      0.659642      0.176367     Biso  1.000000 S
   S11        1.0     0.402115      0.666540      0.317214     Biso  1.000000 S
   S12        1.0     0.599470      0.338221      0.679556     Biso  1.000000 S
   S13        1.0     0.586465      0.132926      0.578623     Biso  1.000000 S
   S14        1.0     0.399808      0.839421      0.422149     Biso  1.000000 S
   S15        1.0     0.916837      0.866841      0.075851     Biso  1.000000 S
   S16        1.0     0.091011      0.153654      0.926634     Biso  1.000000 S
   S17        1.0     0.884655      0.825540      0.672928     Biso  1.000000 S
   S18        1.0     0.100469      0.166228      0.319345     Biso  1.000000 S
   S19        1.0     0.611733      0.170422      0.174541     Biso  1.000000 S
   S20        1.0     0.397053      0.841927      0.822902     Biso  1.000000 S
   S21        1.0     0.400886      0.657138      0.924226     Biso  1.000000 S
   S22        1.0     0.589135      0.353845      0.071178     Biso  1.000000 S
   S23        1.0     0.091824      0.346459      0.424565     Biso  1.000000 S
   S24        1.0     0.916221      0.646530      0.568884     Biso  1.000000 S
   S25        1.0     0.614853      0.833190      0.326474     Biso  1.000000 S
   S26        1.0     0.394577      0.160701      0.677108     Biso  1.000000 S
   S27        1.0     0.884802      0.168042      0.826334     Biso  1.000000 S
   S28        1.0     0.108538      0.839316      0.173578     Biso  1.000000 S
   S29        1.0     0.082163      0.651335      0.071136     Biso  1.000000 S
   S30        1.0     0.911861      0.358550      0.925029     Biso  1.000000 S
   S31        1.0     0.420349      0.350403      0.575903     Biso  1.000000 S
   S32        1.0     0.590740      0.630878      0.416366     Biso  1.000000 S
   S33        1.0     0.109307      0.406798      0.203721     Biso  1.000000 S
   S34        1.0     0.888830      0.598340      0.800386     Biso  1.000000 S
   S35        1.0     0.391766      0.595407      0.702784     Biso  1.000000 S
   S36        1.0     0.609572      0.399664      0.297823     Biso  1.000000 S
   S37        1.0     0.844598      0.854891      0.448182     Biso  1.000000 S
   S38        1.0     0.153387      0.152349      0.553144     Biso  1.000000 S
   S39        1.0     0.648013      0.141652      0.948660     Biso  1.000000 S
   S40        1.0     0.348461      0.861136      0.050092     Biso  1.000000 S
   S41        1.0     0.380137      0.385239      0.801447     Biso  1.000000 S
   S42        1.0     0.609510      0.604193      0.196529     Biso  1.000000 S
   S43        1.0     0.120041      0.617967      0.301809     Biso  1.000000 S
   S44        1.0     0.892391      0.393842      0.698776     Biso  1.000000 S
   S45        1.0     0.655990      0.857883      0.550720     Biso  1.000000 S
   S46        1.0     0.350609      0.152156      0.446623     Biso  1.000000 S
   S47        1.0     0.849656      0.141901      0.050105     Biso  1.000000 S
   S48        1.0     0.146033      0.859332      0.948069     Biso  1.000000 S
   S49        1.0     0.609717      0.898047      0.699159     Biso  1.000000 S
   S50        1.0     0.380746      0.118246      0.298655     Biso  1.000000 S
   S51        1.0     0.890169      0.102664      0.198494     Biso  1.000000 S
   S52        1.0     0.118376      0.881504      0.798988     Biso  1.000000 S
   S53        1.0     0.345417      0.359506      0.953387     Biso  1.000000 S
   S54        1.0     0.632337      0.632846      0.048606     Biso  1.000000 S
   S55        1.0     0.156335      0.643308      0.452289     Biso  1.000000 S
   S56        1.0     0.868361      0.361838      0.548868     Biso  1.000000 S
   S57        1.0     0.891226      0.901253      0.300259     Biso  1.000000 S
   S58        1.0     0.110778      0.094469      0.705453     Biso  1.000000 S
   S59        1.0     0.612431      0.100023      0.800785     Biso  1.000000 S
   S60        1.0     0.392208      0.907630      0.202866     Biso  1.000000 S
   S61        1.0     0.133770      0.371062      0.051612     Biso  1.000000 S
   S62        1.0     0.843575      0.642519      0.952699     Biso  1.000000 S
   S63        1.0     0.357665      0.638548      0.549437     Biso  1.000000 S
   S64        1.0     0.654761      0.346303      0.454052     Biso  1.000000 S
   S65        1.0     0.309955      0.409792      0.301939     Biso  1.000000 S
   S66        1.0     0.685356      0.586372      0.698137     Biso  1.000000 S
   S67        1.0     0.189139      0.590999      0.801173     Biso  1.000000 S
   S68        1.0     0.815799      0.409569      0.196168     Biso  1.000000 S
   S69        1.0     0.858316      0.046211      0.549627     Biso  1.000000 S
   S70        1.0     0.163882      0.946658      0.447547     Biso  1.000000 S
   S71        1.0     0.646312      0.945038      0.054934     Biso  1.000000 S
   S72        1.0     0.339749      0.065509      0.947981     Biso  1.000000 S
   S73        1.0     0.188380      0.401429      0.694491     Biso  1.000000 S
   S74        1.0     0.808388      0.599021      0.298041     Biso  1.000000 S
   S75        1.0     0.312166      0.597818      0.193675     Biso  1.000000 S
   S76        1.0     0.690806      0.399411      0.800702     Biso  1.000000 S
   S77        1.0     0.656545      0.055665      0.454488     Biso  1.000000 S
   S78        1.0     0.346478      0.953330      0.551255     Biso  1.000000 S
   S79        1.0     0.837740      0.933529      0.951994     Biso  1.000000 S
   S80        1.0     0.149625      0.060007      0.049927     Biso  1.000000 S
   S81        1.0     0.807783      0.895027      0.804306     Biso  1.000000 S
   S82        1.0     0.182981      0.097120      0.196296     Biso  1.000000 S
   S83        1.0     0.692497      0.103744      0.304976     Biso  1.000000 S
   S84        1.0     0.320187      0.903468      0.698102     Biso  1.000000 S
   S85        1.0     0.340497      0.561977      0.051151     Biso  1.000000 S
   S86        1.0     0.653812      0.433200      0.946665     Biso  1.000000 S
   S87        1.0     0.159952      0.448167      0.549078     Biso  1.000000 S
   S88        1.0     0.837003      0.558163      0.444889     Biso  1.000000 S
   S89        1.0     0.682832      0.912984      0.202163     Biso  1.000000 S
   S90        1.0     0.308223      0.092387      0.806616     Biso  1.000000 S
   S91        1.0     0.820510      0.085853      0.701756     Biso  1.000000 S
   S92        1.0     0.191435      0.908935      0.304454     Biso  1.000000 S
   S93        1.0     0.152288      0.563175      0.944422     Biso  1.000000 S
   S94        1.0     0.842113      0.443975      0.054691     Biso  1.000000 S
   S95        1.0     0.348148      0.446119      0.447623     Biso  1.000000 S
   S96        1.0     0.660703      0.548392      0.557370     Biso  1.000000 S
   Na1        1.0     0.248444      0.447750      0.127338     Biso  1.000000 Na
   Na2        1.0     0.746520      0.536175      0.872654     Biso  1.000000 Na
   Na3        1.0     0.252377      0.554219      0.628443     Biso  1.000000 Na
   Na4        1.0     0.742692      0.464032      0.371553     Biso  1.000000 Na
   Na5        1.0     0.750361      0.965404      0.372840     Biso  1.000000 Na
   Na6        1.0     0.220550      0.008904      0.625570     Biso  1.000000 Na
   Na7        1.0     0.750914      0.033176      0.874670     Biso  1.000000 Na
   Na8        1.0     0.284897      0.002299      0.122570     Biso  1.000000 Na
   Na9        1.0     0.301644      0.498668      0.877283     Biso  1.000000 Na
   Na10       1.0     0.750516      0.561459      0.126215     Biso  1.000000 Na
   Na11       1.0     0.191168      0.498869      0.376762     Biso  1.000000 Na
   Na12       1.0     0.752225      0.429569      0.627333     Biso  1.000000 Na
   Na13       1.0     0.721462      0.995345      0.625916     Biso  1.000000 Na
   Na14       1.0     0.313317      0.001358      0.377943     Biso  1.000000 Na
   Na15       1.0     0.782914      0.001302      0.124630     Biso  1.000000 Na
   Na16       1.0     0.191098      0.998748      0.877526     Biso  1.000000 Na
   Na17       1.0     0.255777      0.263561      0.234548     Biso  1.000000 Na
   Na18       1.0     0.739707      0.745430      0.750442     Biso  1.000000 Na
   Na19       1.0     0.236231      0.737831      0.732759     Biso  1.000000 Na
   Na20       1.0     0.753858      0.255303      0.250766     Biso  1.000000 Na
   Na21       1.0     0.002598      0.931646      0.503112     Biso  1.000000 Na
   Na22       1.0     0.494673      0.007014      0.002091     Biso  1.000000 Na
   Na23       1.0     0.246276      0.243719      0.749857     Biso  1.000000 Na
   Na24       1.0     0.757118      0.748052      0.237251     Biso  1.000000 Na
   Na25       1.0     0.258511      0.759807      0.246211     Biso  1.000000 Na
   Na26       1.0     0.746478      0.249523      0.740019     Biso  1.000000 Na
   Na27       1.0     0.501471      0.946024      0.490972     Biso  1.000000 Na
   Na28       1.0     0.001988      0.006598      0.988290     Biso  1.000000 Na
   Na29       1.0     0.487402      0.509535      0.983831     Biso  1.000000 Na
   Na30       1.0     0.005251      0.516598      0.488311     Biso  1.000000 Na
   Na31       1.0     0.993023      0.506333      0.998060     Biso  1.000000 Na
   Na32       1.0     0.506710      0.532061      0.496831     Biso  1.000000 Na
   Na33       1.0     0.506108      0.249499      0.255205     Biso  1.000000 Na
   Na34       1.0     0.486319      0.758741      0.740611     Biso  1.000000 Na
   Na35       1.0     0.002092      0.249884      0.240232     Biso  1.000000 Na
   Na36       1.0     0.997578      0.231431      0.503830     Biso  1.000000 Na
   Na37       1.0     0.499998      0.758849      0.006330     Biso  1.000000 Na
   Na38       1.0     0.994001      0.244685      0.743097     Biso  1.000000 Na
   Na39       1.0     0.513413      0.759385      0.241257     Biso  1.000000 Na
   Na40       1.0     0.501934      0.251547      0.759494     Biso  1.000000 Na
   Na41       1.0     0.993015      0.759911      0.991975     Biso  1.000000 Na
   Na42       1.0     0.001212      0.251246      0.007452     Biso  1.000000 Na
   Na43       1.0     0.504669      0.258335      0.991073     Biso  1.000000 Na
   Na44       1.0     0.502086      0.237863      0.496243     Biso  1.000000 Na
   Na45       1.0     0.002566      0.751590      0.256662     Biso  1.000000 Na
   Na46       1.0     0.986153      0.752532      0.755513     Biso  1.000000 Na
   Na47       1.0     0.459285      0.502517      0.244105     Biso  1.000000 Na
   Na48       1.0     0.538356      0.508833      0.767116     Biso  1.000000 Na
   Na49       1.0     0.041119      0.499485      0.745684     Biso  1.000000 Na
   Na50       1.0     0.962002      0.493865      0.265286     Biso  1.000000 Na
   Na51       1.0     0.744685      0.207700      0.520675     Biso  1.000000 Na
   Na52       1.0     0.244650      0.800766      0.512088     Biso  1.000000 Na
   Na53       1.0     0.753925      0.790870      0.019929     Biso  1.000000 Na
   Na54       1.0     0.258134      0.212661      0.016545     Biso  1.000000 Na
   Na55       1.0     0.962016      0.005882      0.772310     Biso  1.000000 Na
   Na56       1.0     0.041019      0.000489      0.250056     Biso  1.000000 Na
   Na57       1.0     0.538867      0.995171      0.271210     Biso  1.000000 Na
   Na58       1.0     0.460538      0.004708      0.750751     Biso  1.000000 Na
   Na59       1.0     0.249156      0.709965      0.994926     Biso  1.000000 Na
   Na60       1.0     0.752917      0.292238      0.999795     Biso  1.000000 Na
   Na61       1.0     0.245676      0.296205      0.494489     Biso  1.000000 Na
   Na62       1.0     0.745449      0.698567      0.499559     Biso  1.000000 Na
   Na63       1.0     0.736504      0.283899      0.878952     Biso  1.000000 Na
   Na64       1.0     0.250559      0.275696      0.620143     Biso  1.000000 Na
   Na65       1.0     0.759785      0.711616      0.375930     Biso  1.000000 Na
   Na66       1.0     0.466569      0.987127      0.629253     Biso  1.000000 Na
   Na67       1.0     0.033294      0.014679      0.128486     Biso  1.000000 Na
   Na68       1.0     0.231872      0.750348      0.866003     Biso  1.000000 Na
   Na69       1.0     0.760520      0.281982      0.120507     Biso  1.000000 Na
   Na70       1.0     0.264273      0.245851      0.364700     Biso  1.000000 Na
   Na71       1.0     0.747515      0.702868      0.620773     Biso  1.000000 Na
   Na72       1.0     0.970774      0.001049      0.641787     Biso  1.000000 Na
   Na73       1.0     0.038206      0.995957      0.371097     Biso  1.000000 Na
   Na74       1.0     0.537289      0.993876      0.138815     Biso  1.000000 Na
   Na75       1.0     0.470649      0.012194      0.872238     Biso  1.000000 Na
   Na76       1.0     0.240949      0.754269      0.372102     Biso  1.000000 Na
   Na77       1.0     0.259765      0.240691      0.880113     Biso  1.000000 Na
   Na78       1.0     0.991922      0.490556      0.128506     Biso  1.000000 Na
   Na79       1.0     0.468976      0.494179      0.363436     Biso  1.000000 Na
   Na80       1.0     0.517891      0.505180      0.632841     Biso  1.000000 Na
   Na81       1.0     0.743144      0.215387      0.386444     Biso  1.000000 Na
   Na82       1.0     0.757453      0.787465      0.888244     Biso  1.000000 Na
   Na83       1.0     0.500609      0.519156      0.115767     Biso  1.000000 Na
   Na84       1.0     0.994304      0.484184      0.618193     Biso  1.000000 Na
   Na85       1.0     0.028639      0.507150      0.867500     Biso  1.000000 Na
   Na86       1.0     0.255310      0.719751      0.116271     Biso  1.000000 Na
