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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'na88.03 p8 s96 sn16                   '
_cell_length_a                         13.80874
_cell_length_b                         13.82196
_cell_length_c                         27.34559
_cell_angle_alpha                      89.69244
_cell_angle_beta                       89.79376
_cell_angle_gamma                      89.83480
_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     0.218119      0.508580      0.249758     Biso  1.000000 Sn
   Sn2        1.0     0.782084      0.496883      0.750007     Biso  1.000000 Sn
   Sn3        1.0     0.281078      0.489212      0.750390     Biso  1.000000 Sn
   Sn4        1.0     0.715789      0.501779      0.249004     Biso  1.000000 Sn
   Sn5        1.0     0.753946      0.969030      0.501298     Biso  1.000000 Sn
   Sn6        1.0     0.256660      0.033963      0.501057     Biso  1.000000 Sn
   Sn7        1.0     0.743768      0.028944      0.001606     Biso  1.000000 Sn
   Sn8        1.0     0.246216      0.965268      0.998368     Biso  1.000000 Sn
   Sn9        1.0     0.720002      0.996050      0.750698     Biso  1.000000 Sn
   Sn10       1.0     0.274567      0.006221      0.250607     Biso  1.000000 Sn
   Sn11       1.0     0.777176      0.004352      0.250535     Biso  1.000000 Sn
   Sn12       1.0     0.224105      0.990886      0.750789     Biso  1.000000 Sn
   Sn13       1.0     0.241189      0.467102      0.000092     Biso  1.000000 Sn
   Sn14       1.0     0.743363      0.526589      0.001040     Biso  1.000000 Sn
   Sn15       1.0     0.254935      0.532093      0.500063     Biso  1.000000 Sn
   Sn16       1.0     0.750068      0.471521      0.502672     Biso  1.000000 Sn
   P1         1.0     0.507013      0.251305      0.124270     Biso  1.000000 P
   P2         1.0     0.498263      0.757792      0.874929     Biso  1.000000 P
   P3         1.0     0.990377      0.746250      0.626195     Biso  1.000000 P
   P4         1.0     0.997469      0.243503      0.371617     Biso  1.000000 P
   P5         1.0     0.996828      0.250399      0.873865     Biso  1.000000 P
   P6         1.0     0.998979      0.752283      0.124370     Biso  1.000000 P
   P7         1.0     0.501610      0.750196      0.374166     Biso  1.000000 P
   P8         1.0     0.510840      0.246672      0.626617     Biso  1.000000 P
   S1         1.0     0.418393      0.336169      0.167973     Biso  1.000000 S
   S2         1.0     0.596069      0.679148      0.833130     Biso  1.000000 S
   S3         1.0     0.077934      0.661709      0.671085     Biso  1.000000 S
   S4         1.0     0.901019      0.321967      0.328799     Biso  1.000000 S
   S5         1.0     0.917781      0.151847      0.415728     Biso  1.000000 S
   S6         1.0     0.070648      0.840791      0.584089     Biso  1.000000 S
   S7         1.0     0.573324      0.851540      0.919008     Biso  1.000000 S
   S8         1.0     0.427491      0.154677      0.082781     Biso  1.000000 S
   S9         1.0     0.090101      0.326467      0.828857     Biso  1.000000 S
   S10        1.0     0.909988      0.669573      0.168447     Biso  1.000000 S
   S11        1.0     0.410875      0.673604      0.328506     Biso  1.000000 S
   S12        1.0     0.606416      0.326581      0.668465     Biso  1.000000 S
   S13        1.0     0.586286      0.148418      0.584756     Biso  1.000000 S
   S14        1.0     0.417285      0.839189      0.417343     Biso  1.000000 S
   S15        1.0     0.923515      0.849916      0.081593     Biso  1.000000 S
   S16        1.0     0.077495      0.158426      0.917142     Biso  1.000000 S
   S17        1.0     0.895812      0.824809      0.669551     Biso  1.000000 S
   S18        1.0     0.085911      0.161853      0.327018     Biso  1.000000 S
   S19        1.0     0.600839      0.175590      0.168603     Biso  1.000000 S
   S20        1.0     0.408830      0.834278      0.828780     Biso  1.000000 S
   S21        1.0     0.413922      0.668145      0.918637     Biso  1.000000 S
   S22        1.0     0.583774      0.340417      0.077749     Biso  1.000000 S
   S23        1.0     0.084109      0.334093      0.411739     Biso  1.000000 S
   S24        1.0     0.913069      0.656053      0.581143     Biso  1.000000 S
   S25        1.0     0.599541      0.825924      0.331749     Biso  1.000000 S
   S26        1.0     0.414998      0.173688      0.672264     Biso  1.000000 S
   S27        1.0     0.898953      0.177134      0.830398     Biso  1.000000 S
   S28        1.0     0.093366      0.827767      0.168634     Biso  1.000000 S
   S29        1.0     0.075233      0.660458      0.078603     Biso  1.000000 S
   S30        1.0     0.921626      0.344112      0.919046     Biso  1.000000 S
   S31        1.0     0.434216      0.339022      0.581638     Biso  1.000000 S
   S32        1.0     0.577091      0.655919      0.419220     Biso  1.000000 S
   S33        1.0     0.115721      0.401821      0.202690     Biso  1.000000 S
   S34        1.0     0.879760      0.601119      0.800986     Biso  1.000000 S
   S35        1.0     0.384413      0.596376      0.703124     Biso  1.000000 S
   S36        1.0     0.619669      0.396141      0.301120     Biso  1.000000 S
   S37        1.0     0.850452      0.867676      0.447467     Biso  1.000000 S
   S38        1.0     0.156296      0.128132      0.555384     Biso  1.000000 S
   S39        1.0     0.646609      0.132354      0.948434     Biso  1.000000 S
   S40        1.0     0.350760      0.868821      0.050663     Biso  1.000000 S
   S41        1.0     0.376262      0.383198      0.801463     Biso  1.000000 S
   S42        1.0     0.613959      0.602520      0.197681     Biso  1.000000 S
   S43        1.0     0.124128      0.615446      0.300599     Biso  1.000000 S
   S44        1.0     0.882672      0.394592      0.698453     Biso  1.000000 S
   S45        1.0     0.646188      0.866949      0.549770     Biso  1.000000 S
   S46        1.0     0.353086      0.137570      0.448412     Biso  1.000000 S
   S47        1.0     0.852225      0.128314      0.050018     Biso  1.000000 S
   S48        1.0     0.146216      0.863945      0.947369     Biso  1.000000 S
   S49        1.0     0.617943      0.895059      0.699840     Biso  1.000000 S
   S50        1.0     0.371258      0.116249      0.298422     Biso  1.000000 S
   S51        1.0     0.879774      0.102929      0.197504     Biso  1.000000 S
   S52        1.0     0.125356      0.881219      0.798699     Biso  1.000000 S
   S53        1.0     0.348390      0.364701      0.952592     Biso  1.000000 S
   S54        1.0     0.632754      0.624103      0.048809     Biso  1.000000 S
   S55        1.0     0.147272      0.634796      0.453147     Biso  1.000000 S
   S56        1.0     0.855882      0.372716      0.553116     Biso  1.000000 S
   S57        1.0     0.877474      0.896834      0.299771     Biso  1.000000 S
   S58        1.0     0.118231      0.094328      0.702559     Biso  1.000000 S
   S59        1.0     0.621941      0.103953      0.800396     Biso  1.000000 S
   S60        1.0     0.381471      0.903232      0.202590     Biso  1.000000 S
   S61        1.0     0.134518      0.372975      0.051267     Biso  1.000000 S
   S62        1.0     0.846751      0.632622      0.952572     Biso  1.000000 S
   S63        1.0     0.362499      0.625043      0.550636     Biso  1.000000 S
   S64        1.0     0.652282      0.367930      0.450978     Biso  1.000000 S
   S65        1.0     0.319188      0.406102      0.301088     Biso  1.000000 S
   S66        1.0     0.673521      0.593657      0.699700     Biso  1.000000 S
   S67        1.0     0.180982      0.591896      0.801964     Biso  1.000000 S
   S68        1.0     0.825015      0.409157      0.197319     Biso  1.000000 S
   S69        1.0     0.851187      0.066318      0.556051     Biso  1.000000 S
   S70        1.0     0.155093      0.930615      0.450837     Biso  1.000000 S
   S71        1.0     0.642848      0.930410      0.054443     Biso  1.000000 S
   S72        1.0     0.340411      0.075155      0.947655     Biso  1.000000 S
   S73        1.0     0.177574      0.399642      0.695207     Biso  1.000000 S
   S74        1.0     0.817635      0.602698      0.298960     Biso  1.000000 S
   S75        1.0     0.322488      0.597741      0.194126     Biso  1.000000 S
   S76        1.0     0.678893      0.399585      0.801946     Biso  1.000000 S
   S77        1.0     0.661586      0.080419      0.451327     Biso  1.000000 S
   S78        1.0     0.359471      0.926618      0.548187     Biso  1.000000 S
   S79        1.0     0.839177      0.919908      0.952202     Biso  1.000000 S
   S80        1.0     0.145670      0.068301      0.048528     Biso  1.000000 S
   S81        1.0     0.820843      0.897625      0.803418     Biso  1.000000 S
   S82        1.0     0.169950      0.097204      0.196525     Biso  1.000000 S
   S83        1.0     0.676155      0.104756      0.302178     Biso  1.000000 S
   S84        1.0     0.331071      0.900976      0.697545     Biso  1.000000 S
   S85        1.0     0.342629      0.567621      0.051482     Biso  1.000000 S
   S86        1.0     0.652519      0.421746      0.947863     Biso  1.000000 S
   S87        1.0     0.156807      0.430917      0.553387     Biso  1.000000 S
   S88        1.0     0.847521      0.573391      0.450153     Biso  1.000000 S
   S89        1.0     0.668925      0.908630      0.201731     Biso  1.000000 S
   S90        1.0     0.317679      0.092793      0.805413     Biso  1.000000 S
   S91        1.0     0.827009      0.092311      0.698941     Biso  1.000000 S
   S92        1.0     0.179416      0.904026      0.305373     Biso  1.000000 S
   S93        1.0     0.152202      0.571747      0.944583     Biso  1.000000 S
   S94        1.0     0.845223      0.431057      0.055516     Biso  1.000000 S
   S95        1.0     0.342446      0.425836      0.445167     Biso  1.000000 S
   S96        1.0     0.647395      0.572363      0.554639     Biso  1.000000 S
   Na1        1.0     0.254738      0.444793      0.126890     Biso  1.000000 Na
   Na2        1.0     0.736045      0.536751      0.874100     Biso  1.000000 Na
   Na3        1.0     0.244923      0.555579      0.626935     Biso  1.000000 Na
   Na4        1.0     0.765321      0.467344      0.373737     Biso  1.000000 Na
   Na5        1.0     0.736232      0.968409      0.374196     Biso  1.000000 Na
   Na6        1.0     0.219209      0.979523      0.622270     Biso  1.000000 Na
   Na7        1.0     0.765061      0.034427      0.874874     Biso  1.000000 Na
   Na8        1.0     0.283352      0.013301      0.122599     Biso  1.000000 Na
   Na9        1.0     0.305806      0.504872      0.877158     Biso  1.000000 Na
   Na10       1.0     0.754633      0.557213      0.126283     Biso  1.000000 Na
   Na11       1.0     0.195178      0.497420      0.376807     Biso  1.000000 Na
   Na12       1.0     0.754845      0.473604      0.626553     Biso  1.000000 Na
   Na13       1.0     0.728340      0.981387      0.625308     Biso  1.000000 Na
   Na14       1.0     0.300061      0.997404      0.377349     Biso  1.000000 Na
   Na15       1.0     0.782090      0.985283      0.124543     Biso  1.000000 Na
   Na16       1.0     0.191429      0.003736      0.875698     Biso  1.000000 Na
   Na17       1.0     0.264321      0.259222      0.232429     Biso  1.000000 Na
   Na18       1.0     0.739841      0.746200      0.754115     Biso  1.000000 Na
   Na19       1.0     0.233710      0.738616      0.732338     Biso  1.000000 Na
   Na20       1.0     0.760072      0.254313      0.251661     Biso  1.000000 Na
   Na21       1.0     0.010159      0.044704      0.496654     Biso  1.000000 Na
   Na22       1.0     0.492964      0.011295      0.004048     Biso  1.000000 Na
   Na23       1.0     0.254612      0.242093      0.746587     Biso  1.000000 Na
   Na24       1.0     0.759786      0.747047      0.233222     Biso  1.000000 Na
   Na25       1.0     0.256084      0.753951      0.250532     Biso  1.000000 Na
   Na26       1.0     0.752262      0.247638      0.748653     Biso  1.000000 Na
   Na27       1.0     0.496420      0.989724      0.477943     Biso  1.000000 Na
   Na28       1.0     0.000694      0.009113      0.983887     Biso  1.000000 Na
   Na29       1.0     0.489878      0.514829      0.983338     Biso  1.000000 Na
   Na30       1.0     0.004052      0.463972      0.485011     Biso  1.000000 Na
   Na31       1.0     0.995689      0.504753      0.000292     Biso  1.000000 Na
   Na32       1.0     0.499048      0.494081      0.499883     Biso  1.000000 Na
   Na33       1.0     0.512812      0.240833      0.256251     Biso  1.000000 Na
   Na34       1.0     0.486786      0.758646      0.742175     Biso  1.000000 Na
   Na35       1.0     0.008936      0.242695      0.240452     Biso  1.000000 Na
   Na36       1.0     0.992534      0.747220      0.494739     Biso  1.000000 Na
   Na37       1.0     0.507890      0.764039      0.006498     Biso  1.000000 Na
   Na38       1.0     0.004482      0.252506      0.742258     Biso  1.000000 Na
   Na39       1.0     0.509633      0.753355      0.243183     Biso  1.000000 Na
   Na40       1.0     0.511879      0.261721      0.755870     Biso  1.000000 Na
   Na41       1.0     0.490936      0.753724      0.506001     Biso  1.000000 Na
   Na42       1.0     0.996598      0.758129      0.993231     Biso  1.000000 Na
   Na43       1.0     0.006254      0.245373      0.005456     Biso  1.000000 Na
   Na44       1.0     0.507229      0.260227      0.991791     Biso  1.000000 Na
   Na45       1.0     0.511044      0.237878      0.495955     Biso  1.000000 Na
   Na46       1.0     0.997200      0.745468      0.255390     Biso  1.000000 Na
   Na47       1.0     0.984658      0.759510      0.756855     Biso  1.000000 Na
   Na48       1.0     0.466861      0.493591      0.244960     Biso  1.000000 Na
   Na49       1.0     0.528037      0.518713      0.772139     Biso  1.000000 Na
   Na50       1.0     0.032121      0.508400      0.744256     Biso  1.000000 Na
   Na51       1.0     0.970073      0.484902      0.269834     Biso  1.000000 Na
   Na52       1.0     0.790676      0.220925      0.494029     Biso  1.000000 Na
   Na53       1.0     0.233623      0.780340      0.518695     Biso  1.000000 Na
   Na54       1.0     0.762150      0.777803      0.023727     Biso  1.000000 Na
   Na55       1.0     0.265838      0.218953      0.020065     Biso  1.000000 Na
   Na56       1.0     0.973491      0.014824      0.771670     Biso  1.000000 Na
   Na57       1.0     0.028342     -0.000850      0.251747     Biso  1.000000 Na
   Na58       1.0     0.524620      0.985632      0.273599     Biso  1.000000 Na
   Na59       1.0     0.469867      0.010479      0.748157     Biso  1.000000 Na
   Na60       1.0     0.256531      0.716085      0.994327     Biso  1.000000 Na
   Na61       1.0     0.751671      0.279846      0.002348     Biso  1.000000 Na
   Na62       1.0     0.216899      0.279889      0.489721     Biso  1.000000 Na
   Na63       1.0     0.743969      0.717996      0.498798     Biso  1.000000 Na
   Na64       1.0     0.739660      0.281933      0.879831     Biso  1.000000 Na
   Na65       1.0     0.250437      0.275131      0.615677     Biso  1.000000 Na
   Na66       1.0     0.760312      0.721085      0.376379     Biso  1.000000 Na
   Na67       1.0     0.475111      0.991071      0.624354     Biso  1.000000 Na
   Na68       1.0     0.028610      0.009436      0.126400     Biso  1.000000 Na
   Na69       1.0     0.235707      0.750894      0.867047     Biso  1.000000 Na
   Na70       1.0     0.762377      0.273395      0.123542     Biso  1.000000 Na
   Na71       1.0     0.260069      0.248247      0.365518     Biso  1.000000 Na
   Na72       1.0     0.734099      0.727209      0.622497     Biso  1.000000 Na
   Na73       1.0     0.976141      0.003605      0.634267     Biso  1.000000 Na
   Na74       1.0     0.017905      0.984768      0.373892     Biso  1.000000 Na
   Na75       1.0     0.530998      0.994728      0.137679     Biso  1.000000 Na
   Na76       1.0     0.474127      0.011502      0.872840     Biso  1.000000 Na
   Na77       1.0     0.240064      0.755285      0.381461     Biso  1.000000 Na
   Na78       1.0     0.257822      0.243556      0.880472     Biso  1.000000 Na
   Na79       1.0     0.993961      0.491875      0.131312     Biso  1.000000 Na
   Na80       1.0     0.475221      0.493688      0.370563     Biso  1.000000 Na
   Na81       1.0     0.510083      0.505593      0.632202     Biso  1.000000 Na
   Na82       1.0     0.735582      0.222458      0.378594     Biso  1.000000 Na
   Na83       1.0     0.755388      0.783292      0.887303     Biso  1.000000 Na
   Na84       1.0     0.501010      0.513410      0.117614     Biso  1.000000 Na
   Na85       1.0     0.003272      0.482602      0.617680     Biso  1.000000 Na
   Na86       1.0     0.024442      0.504781      0.869446     Biso  1.000000 Na
   Na87       1.0     0.253756      0.726364      0.119418     Biso  1.000000 Na
   Na88       1.0     0.766945      0.225088      0.618264     Biso  1.000000 Na
