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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'na88.03 p8 s96 sn16                   '
_cell_length_a                         13.79538
_cell_length_b                         13.78128
_cell_length_c                         27.43872
_cell_angle_alpha                      89.49648
_cell_angle_beta                       89.29336
_cell_angle_gamma                      90.63109
_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     0.223138      0.509061      0.247332     Biso  1.000000 Sn
   Sn2        1.0     0.785524      0.502616      0.749927     Biso  1.000000 Sn
   Sn3        1.0     0.285076      0.501793      0.746931     Biso  1.000000 Sn
   Sn4        1.0     0.724006      0.503273      0.248682     Biso  1.000000 Sn
   Sn5        1.0     0.758260      0.972545      0.498047     Biso  1.000000 Sn
   Sn6        1.0     0.259798      0.030347      0.500023     Biso  1.000000 Sn
   Sn7        1.0     0.752211      0.034974      0.999019     Biso  1.000000 Sn
   Sn8        1.0     0.256718      0.970490      0.998848     Biso  1.000000 Sn
   Sn9        1.0     0.719243      0.006997      0.748010     Biso  1.000000 Sn
   Sn10       1.0     0.286967      0.003732      0.250176     Biso  1.000000 Sn
   Sn11       1.0     0.786151      0.000476      0.247758     Biso  1.000000 Sn
   Sn12       1.0     0.222188      0.004884      0.748542     Biso  1.000000 Sn
   Sn13       1.0     0.254625      0.473475      0.997893     Biso  1.000000 Sn
   Sn14       1.0     0.752609      0.534679      0.998008     Biso  1.000000 Sn
   Sn15       1.0     0.253168      0.530666      0.498965     Biso  1.000000 Sn
   Sn16       1.0     0.753529      0.468881      0.501010     Biso  1.000000 Sn
   P1         1.0     0.503877      0.241837      0.124448     Biso  1.000000 P
   P2         1.0     0.502519      0.753538      0.875931     Biso  1.000000 P
   P3         1.0     0.004260      0.740267      0.624249     Biso  1.000000 P
   P4         1.0     0.994526      0.253147      0.377531     Biso  1.000000 P
   P5         1.0     0.990997      0.253674      0.874605     Biso  1.000000 P
   P6         1.0     0.003260      0.753159      0.126335     Biso  1.000000 P
   P7         1.0     0.494420      0.751523      0.376922     Biso  1.000000 P
   P8         1.0     0.505289      0.254942      0.623022     Biso  1.000000 P
   S1         1.0     0.409050      0.323718      0.164877     Biso  1.000000 S
   S2         1.0     0.600244      0.670394      0.836566     Biso  1.000000 S
   S3         1.0     0.096270      0.664666      0.669127     Biso  1.000000 S
   S4         1.0     0.903031      0.333901      0.334638     Biso  1.000000 S
   S5         1.0     0.912836      0.162920      0.422448     Biso  1.000000 S
   S6         1.0     0.087195      0.828689      0.578057     Biso  1.000000 S
   S7         1.0     0.580044      0.851348      0.917556     Biso  1.000000 S
   S8         1.0     0.425004      0.145560      0.082668     Biso  1.000000 S
   S9         1.0     0.079286      0.336943      0.828452     Biso  1.000000 S
   S10        1.0     0.912072      0.671097      0.170035     Biso  1.000000 S
   S11        1.0     0.397570      0.676983      0.334389     Biso  1.000000 S
   S12        1.0     0.604274      0.327471      0.666142     Biso  1.000000 S
   S13        1.0     0.578479      0.162584      0.576215     Biso  1.000000 S
   S14        1.0     0.420468      0.841979      0.423769     Biso  1.000000 S
   S15        1.0     0.920284      0.850180      0.086748     Biso  1.000000 S
   S16        1.0     0.070518      0.158664      0.916014     Biso  1.000000 S
   S17        1.0     0.909464      0.819596      0.666293     Biso  1.000000 S
   S18        1.0     0.085375      0.168244      0.336519     Biso  1.000000 S
   S19        1.0     0.593840      0.166345      0.170492     Biso  1.000000 S
   S20        1.0     0.409977      0.830156      0.831758     Biso  1.000000 S
   S21        1.0     0.421552      0.662412      0.920094     Biso  1.000000 S
   S22        1.0     0.588798      0.328470      0.078234     Biso  1.000000 S
   S23        1.0     0.072664      0.349459      0.420100     Biso  1.000000 S
   S24        1.0     0.925717      0.644044      0.582340     Biso  1.000000 S
   S25        1.0     0.583169      0.835680      0.331730     Biso  1.000000 S
   S26        1.0     0.411203      0.175677      0.666369     Biso  1.000000 S
   S27        1.0     0.894713      0.175408      0.832494     Biso  1.000000 S
   S28        1.0     0.099389      0.831736      0.168490     Biso  1.000000 S
   S29        1.0     0.081465      0.661208      0.082232     Biso  1.000000 S
   S30        1.0     0.915155      0.345147      0.919994     Biso  1.000000 S
   S31        1.0     0.427385      0.354672      0.582852     Biso  1.000000 S
   S32        1.0     0.573300      0.653407      0.417703     Biso  1.000000 S
   S33        1.0     0.127073      0.405132      0.195885     Biso  1.000000 S
   S34        1.0     0.884270      0.605195      0.800951     Biso  1.000000 S
   S35        1.0     0.384575      0.606133      0.695086     Biso  1.000000 S
   S36        1.0     0.617576      0.401329      0.298986     Biso  1.000000 S
   S37        1.0     0.867539      0.875255      0.450042     Biso  1.000000 S
   S38        1.0     0.154057      0.134180      0.547076     Biso  1.000000 S
   S39        1.0     0.645799      0.133980      0.949647     Biso  1.000000 S
   S40        1.0     0.355726      0.867821      0.050352     Biso  1.000000 S
   S41        1.0     0.385839      0.401784      0.798167     Biso  1.000000 S
   S42        1.0     0.627596      0.614630      0.201513     Biso  1.000000 S
   S43        1.0     0.118892      0.603174      0.301070     Biso  1.000000 S
   S44        1.0     0.884780      0.395942      0.700455     Biso  1.000000 S
   S45        1.0     0.654717      0.866067      0.547677     Biso  1.000000 S
   S46        1.0     0.368626      0.126777      0.449561     Biso  1.000000 S
   S47        1.0     0.854647      0.133479      0.050344     Biso  1.000000 S
   S48        1.0     0.154887      0.875743      0.946183     Biso  1.000000 S
   S49        1.0     0.624712      0.904881      0.695197     Biso  1.000000 S
   S50        1.0     0.387735      0.104685      0.300529     Biso  1.000000 S
   S51        1.0     0.884006      0.105131      0.195450     Biso  1.000000 S
   S52        1.0     0.115511      0.903304      0.798855     Biso  1.000000 S
   S53        1.0     0.365137      0.376110      0.950392     Biso  1.000000 S
   S54        1.0     0.652532      0.635748      0.049427     Biso  1.000000 S
   S55        1.0     0.146608      0.628436      0.449303     Biso  1.000000 S
   S56        1.0     0.854526      0.365789      0.551224     Biso  1.000000 S
   S57        1.0     0.886308      0.899984      0.299048     Biso  1.000000 S
   S58        1.0     0.126359      0.115407      0.700757     Biso  1.000000 S
   S59        1.0     0.615711      0.105650      0.799480     Biso  1.000000 S
   S60        1.0     0.384311      0.896463      0.199937     Biso  1.000000 S
   S61        1.0     0.153294      0.367048      0.048374     Biso  1.000000 S
   S62        1.0     0.856333      0.633754      0.945710     Biso  1.000000 S
   S63        1.0     0.354998      0.631815      0.549965     Biso  1.000000 S
   S64        1.0     0.647399      0.372492      0.450254     Biso  1.000000 S
   S65        1.0     0.325992      0.406473      0.295835     Biso  1.000000 S
   S66        1.0     0.684469      0.596584      0.695854     Biso  1.000000 S
   S67        1.0     0.183718      0.598739      0.800408     Biso  1.000000 S
   S68        1.0     0.818143      0.405082      0.192872     Biso  1.000000 S
   S69        1.0     0.848479      0.078629      0.551063     Biso  1.000000 S
   S70        1.0     0.156548      0.932059      0.448376     Biso  1.000000 S
   S71        1.0     0.658589      0.925738      0.051921     Biso  1.000000 S
   S72        1.0     0.356588      0.078431      0.948861     Biso  1.000000 S
   S73        1.0     0.180780      0.399079      0.697752     Biso  1.000000 S
   S74        1.0     0.833015      0.592560      0.300514     Biso  1.000000 S
   S75        1.0     0.328228      0.612576      0.197593     Biso  1.000000 S
   S76        1.0     0.675640      0.408673      0.802285     Biso  1.000000 S
   S77        1.0     0.656621      0.067275      0.444108     Biso  1.000000 S
   S78        1.0     0.348455      0.925094      0.554785     Biso  1.000000 S
   S79        1.0     0.846966      0.934082      0.944908     Biso  1.000000 S
   S80        1.0     0.154259      0.071584      0.050142     Biso  1.000000 S
   S81        1.0     0.819811      0.904682      0.799212     Biso  1.000000 S
   S82        1.0     0.185593      0.099508      0.196994     Biso  1.000000 S
   S83        1.0     0.685004      0.097104      0.301261     Biso  1.000000 S
   S84        1.0     0.316297      0.906246      0.692934     Biso  1.000000 S
   S85        1.0     0.343331      0.584025      0.049134     Biso  1.000000 S
   S86        1.0     0.649496      0.429475      0.949510     Biso  1.000000 S
   S87        1.0     0.157925      0.421648      0.551445     Biso  1.000000 S
   S88        1.0     0.852317      0.573470      0.449263     Biso  1.000000 S
   S89        1.0     0.679426      0.898478      0.199534     Biso  1.000000 S
   S90        1.0     0.333096      0.093920      0.799451     Biso  1.000000 S
   S91        1.0     0.827604      0.106485      0.698112     Biso  1.000000 S
   S92        1.0     0.178187      0.912918      0.304308     Biso  1.000000 S
   S93        1.0     0.155710      0.566802      0.942295     Biso  1.000000 S
   S94        1.0     0.849731      0.433538      0.051056     Biso  1.000000 S
   S95        1.0     0.352088      0.430846      0.446657     Biso  1.000000 S
   S96        1.0     0.656650      0.574572      0.552273     Biso  1.000000 S
   Na1        1.0     0.266837      0.472100      0.125340     Biso  1.000000 Na
   Na2        1.0     0.752387      0.530132      0.874082     Biso  1.000000 Na
   Na3        1.0     0.278190      0.505619      0.623206     Biso  1.000000 Na
   Na4        1.0     0.716727      0.512470      0.375717     Biso  1.000000 Na
   Na5        1.0     0.746342      0.945366      0.371595     Biso  1.000000 Na
   Na6        1.0     0.190547      0.996894      0.622879     Biso  1.000000 Na
   Na7        1.0     0.727616      0.019925      0.873592     Biso  1.000000 Na
   Na8        1.0     0.270756      0.981489      0.124615     Biso  1.000000 Na
   Na9        1.0     0.245244      0.442254      0.871418     Biso  1.000000 Na
   Na10       1.0     0.695385      0.495178      0.122010     Biso  1.000000 Na
   Na11       1.0     0.217994      0.486265      0.373944     Biso  1.000000 Na
   Na12       1.0     0.768676      0.475019      0.625820     Biso  1.000000 Na
   Na13       1.0     0.770611      0.965481      0.626377     Biso  1.000000 Na
   Na14       1.0     0.245864      0.059993      0.373603     Biso  1.000000 Na
   Na15       1.0     0.779625      0.002197      0.123748     Biso  1.000000 Na
   Na16       1.0     0.218767      0.018537      0.875955     Biso  1.000000 Na
   Na17       1.0     0.208318      0.257369      0.260298     Biso  1.000000 Na
   Na18       1.0     0.709238      0.756965      0.754235     Biso  1.000000 Na
   Na19       1.0     0.292478      0.749777      0.755442     Biso  1.000000 Na
   Na20       1.0     0.791787      0.249215      0.255571     Biso  1.000000 Na
   Na21       1.0     0.010438      0.984197      0.516739     Biso  1.000000 Na
   Na22       1.0     0.504565      0.991601      0.999129     Biso  1.000000 Na
   Na23       1.0     0.235577      0.254895      0.766256     Biso  1.000000 Na
   Na24       1.0     0.735887      0.754441      0.268898     Biso  1.000000 Na
   Na25       1.0     0.238119      0.757994      0.248798     Biso  1.000000 Na
   Na26       1.0     0.742255      0.254637      0.749339     Biso  1.000000 Na
   Na27       1.0     0.507355      0.004249      0.504290     Biso  1.000000 Na
   Na28       1.0     0.006369      0.960726      0.004160     Biso  1.000000 Na
   Na29       1.0     0.505731      0.485160      0.019417     Biso  1.000000 Na
   Na30       1.0     0.003926      0.489891      0.498586     Biso  1.000000 Na
   Na31       1.0     1.000587      0.543092      0.006079     Biso  1.000000 Na
   Na32       1.0     0.503690      0.506325      0.497984     Biso  1.000000 Na
   Na33       1.0     0.496771      0.252495      0.254456     Biso  1.000000 Na
   Na34       1.0     0.007541      0.745721      0.754778     Biso  1.000000 Na
   Na35       1.0     0.993222      0.237637      0.508011     Biso  1.000000 Na
   Na36       1.0     0.989987      0.735048      0.493814     Biso  1.000000 Na
   Na37       1.0     0.496904      0.740413      0.005796     Biso  1.000000 Na
   Na38       1.0     0.488130      0.237290      0.993897     Biso  1.000000 Na
   Na39       1.0     0.987926      0.238389      0.743938     Biso  1.000000 Na
   Na40       1.0     0.989416      0.741954      0.256678     Biso  1.000000 Na
   Na41       1.0     0.487249      0.739930      0.244876     Biso  1.000000 Na
   Na42       1.0     0.996408      0.256743      0.004932     Biso  1.000000 Na
   Na43       1.0     0.498564      0.753488      0.507303     Biso  1.000000 Na
   Na44       1.0     0.489098      0.245167      0.754136     Biso  1.000000 Na
   Na45       1.0     0.488826      0.263667      0.494806     Biso  1.000000 Na
   Na46       1.0     0.473066      0.484849      0.226598     Biso  1.000000 Na
   Na47       1.0     0.532379      0.538275      0.760341     Biso  1.000000 Na
   Na48       1.0     0.035309      0.494025      0.753331     Biso  1.000000 Na
   Na49       1.0     0.972821      0.464194      0.254942     Biso  1.000000 Na
   Na50       1.0     0.743440      0.218755      0.498978     Biso  1.000000 Na
   Na51       1.0     0.244864      0.780943      0.502159     Biso  1.000000 Na
   Na52       1.0     0.787937      0.782779      0.009866     Biso  1.000000 Na
   Na53       1.0     0.232074      0.223506      0.979771     Biso  1.000000 Na
   Na54       1.0     0.973062      0.982645      0.729582     Biso  1.000000 Na
   Na55       1.0     0.033095      0.033136      0.258833     Biso  1.000000 Na
   Na56       1.0     0.535770      0.998672      0.252153     Biso  1.000000 Na
   Na57       1.0     0.470340      0.963868      0.754787     Biso  1.000000 Na
   Na58       1.0     0.215767      0.721296      0.004211     Biso  1.000000 Na
   Na59       1.0     0.744893      0.284281      0.003586     Biso  1.000000 Na
   Na60       1.0     0.233340      0.278275      0.477979     Biso  1.000000 Na
   Na61       1.0     0.733223      0.723432      0.477753     Biso  1.000000 Na
   Na62       1.0     0.262485      0.727764      0.121231     Biso  1.000000 Na
   Na63       1.0     0.735405      0.277080      0.879485     Biso  1.000000 Na
   Na64       1.0     0.244092      0.257628      0.622090     Biso  1.000000 Na
   Na65       1.0     0.499839      0.013314      0.376662     Biso  1.000000 Na
   Na66       1.0     0.477049      0.996170      0.631374     Biso  1.000000 Na
   Na67       1.0     0.973335      0.995060      0.864911     Biso  1.000000 Na
   Na68       1.0     0.243867      0.728374      0.880788     Biso  1.000000 Na
   Na69       1.0     0.765585      0.253340      0.127211     Biso  1.000000 Na
   Na70       1.0     0.746085      0.722461      0.616062     Biso  1.000000 Na
   Na71       1.0     0.998406      0.990084      0.382713     Biso  1.000000 Na
   Na72       1.0     0.525715      0.985709      0.128833     Biso  1.000000 Na
   Na73       1.0     0.473187      0.012538      0.871573     Biso  1.000000 Na
   Na74       1.0     0.759944      0.219513      0.619824     Biso  1.000000 Na
   Na75       1.0     0.239627      0.778580      0.378966     Biso  1.000000 Na
   Na76       1.0     0.738635      0.748225      0.133484     Biso  1.000000 Na
   Na77       1.0     0.003737      0.515733      0.877258     Biso  1.000000 Na
   Na78       1.0     0.981296      0.493501      0.131219     Biso  1.000000 Na
   Na79       1.0     0.466067      0.491568      0.360998     Biso  1.000000 Na
   Na80       1.0     0.527761      0.510601      0.633133     Biso  1.000000 Na
   Na81       1.0     0.266301      0.757330      0.626181     Biso  1.000000 Na
   Na82       1.0     0.762135      0.776771      0.882529     Biso  1.000000 Na
   Na83       1.0     0.244209      0.226868      0.117240     Biso  1.000000 Na
   Na84       1.0     0.498244      0.487641      0.883718     Biso  1.000000 Na
   Na85       1.0     0.026389      0.484314      0.628994     Biso  1.000000 Na
   Na86       1.0     0.971955      0.515139      0.371598     Biso  1.000000 Na
   Na87       1.0     0.027213      0.013066      0.132397     Biso  1.000000 Na
   Na88       1.0     0.738095      0.229006      0.377726     Biso  1.000000 Na
