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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'na88.03 p8 s96 sn16                   '
_cell_length_a                         13.82693
_cell_length_b                         13.84911
_cell_length_c                         27.35725
_cell_angle_alpha                      90.22149
_cell_angle_beta                       90.23763
_cell_angle_gamma                      89.84328
_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     0.220434      0.512248      0.251682     Biso  1.000000 Sn
   Sn2        1.0     0.781184      0.500252      0.747445     Biso  1.000000 Sn
   Sn3        1.0     0.278611      0.493136      0.750383     Biso  1.000000 Sn
   Sn4        1.0     0.720561      0.501940      0.248690     Biso  1.000000 Sn
   Sn5        1.0     0.754941      0.969021      0.502423     Biso  1.000000 Sn
   Sn6        1.0     0.252702      0.028129      0.497934     Biso  1.000000 Sn
   Sn7        1.0     0.747549      0.033766      0.002198     Biso  1.000000 Sn
   Sn8        1.0     0.246472      0.964847      0.997254     Biso  1.000000 Sn
   Sn9        1.0     0.722598      0.997734      0.751368     Biso  1.000000 Sn
   Sn10       1.0     0.278602      0.009839      0.249940     Biso  1.000000 Sn
   Sn11       1.0     0.784535      0.999628      0.251922     Biso  1.000000 Sn
   Sn12       1.0     0.225932      0.994823      0.749514     Biso  1.000000 Sn
   Sn13       1.0     0.246530      0.468613      0.000378     Biso  1.000000 Sn
   Sn14       1.0     0.753125      0.533938      0.999012     Biso  1.000000 Sn
   Sn15       1.0     0.257921      0.525592      0.500925     Biso  1.000000 Sn
   Sn16       1.0     0.755457      0.471528      0.500445     Biso  1.000000 Sn
   Sn17       1.0     0.511140      0.254950      0.124115     Biso  1.000000 Sn
   P1         1.0     0.501180      0.758345      0.876207     Biso  1.000000 P
   P2         1.0     0.989388      0.747517      0.624361     Biso  1.000000 P
   P3         1.0     0.003877      0.237868      0.375386     Biso  1.000000 P
   P4         1.0     0.000924      0.254229      0.873189     Biso  1.000000 P
   P5         1.0     0.988714      0.751281      0.124226     Biso  1.000000 P
   P6         1.0     0.503496      0.746302      0.375243     Biso  1.000000 P
   P7         1.0     0.501067      0.247303      0.625021     Biso  1.000000 P
   S1         1.0     0.412657      0.352613      0.177024     Biso  1.000000 S
   S2         1.0     0.595414      0.681591      0.831753     Biso  1.000000 S
   S3         1.0     0.077313      0.661683      0.667949     Biso  1.000000 S
   S4         1.0     0.906765      0.316455      0.333250     Biso  1.000000 S
   S5         1.0     0.928191      0.144243      0.419238     Biso  1.000000 S
   S6         1.0     0.071242      0.840940      0.582454     Biso  1.000000 S
   S7         1.0     0.579940      0.846822      0.922560     Biso  1.000000 S
   S8         1.0     0.421821      0.140628      0.075369     Biso  1.000000 S
   S9         1.0     0.090520      0.329176      0.826505     Biso  1.000000 S
   S10        1.0     0.896324      0.667475      0.165189     Biso  1.000000 S
   S11        1.0     0.412029      0.668195      0.330607     Biso  1.000000 S
   S12        1.0     0.588812      0.332100      0.668486     Biso  1.000000 S
   S13        1.0     0.577427      0.150120      0.582695     Biso  1.000000 S
   S14        1.0     0.420903      0.837059      0.417968     Biso  1.000000 S
   S15        1.0     0.909355      0.848393      0.083370     Biso  1.000000 S
   S16        1.0     0.086200      0.168090      0.917338     Biso  1.000000 S
   S17        1.0     0.897834      0.826093      0.668455     Biso  1.000000 S
   S18        1.0     0.094236      0.161206      0.330165     Biso  1.000000 S
   S19        1.0     0.625271      0.167075      0.173979     Biso  1.000000 S
   S20        1.0     0.412892      0.841159      0.832418     Biso  1.000000 S
   S21        1.0     0.416970      0.667248      0.917996     Biso  1.000000 S
   S22        1.0     0.597670      0.363057      0.071142     Biso  1.000000 S
   S23        1.0     0.087480      0.327495      0.419297     Biso  1.000000 S
   S24        1.0     0.910024      0.659022      0.578995     Biso  1.000000 S
   S25        1.0     0.599768      0.821593      0.331845     Biso  1.000000 S
   S26        1.0     0.407911      0.171412      0.669881     Biso  1.000000 S
   S27        1.0     0.903507      0.176166      0.831582     Biso  1.000000 S
   S28        1.0     0.082375      0.825797      0.170146     Biso  1.000000 S
   S29        1.0     0.069809      0.664025      0.078497     Biso  1.000000 S
   S30        1.0     0.924898      0.349226      0.917089     Biso  1.000000 S
   S31        1.0     0.422992      0.336583      0.579026     Biso  1.000000 S
   S32        1.0     0.580063      0.654403      0.420813     Biso  1.000000 S
   S33        1.0     0.116178      0.405789      0.204578     Biso  1.000000 S
   S34        1.0     0.877579      0.605400      0.799519     Biso  1.000000 S
   S35        1.0     0.380804      0.599901      0.703334     Biso  1.000000 S
   S36        1.0     0.624092      0.398548      0.300397     Biso  1.000000 S
   S37        1.0     0.851535      0.864284      0.449933     Biso  1.000000 S
   S38        1.0     0.148748      0.124120      0.550616     Biso  1.000000 S
   S39        1.0     0.647016      0.132916      0.949049     Biso  1.000000 S
   S40        1.0     0.348505      0.865992      0.049674     Biso  1.000000 S
   S41        1.0     0.373823      0.387321      0.801343     Biso  1.000000 S
   S42        1.0     0.619256      0.606498      0.198186     Biso  1.000000 S
   S43        1.0     0.123600      0.617777      0.302246     Biso  1.000000 S
   S44        1.0     0.883244      0.399001      0.696814     Biso  1.000000 S
   S45        1.0     0.645268      0.871159      0.551004     Biso  1.000000 S
   S46        1.0     0.353121      0.130605      0.447766     Biso  1.000000 S
   S47        1.0     0.853739      0.137304      0.050114     Biso  1.000000 S
   S48        1.0     0.145382      0.864571      0.945182     Biso  1.000000 S
   S49        1.0     0.618834      0.899602      0.698984     Biso  1.000000 S
   S50        1.0     0.378604      0.118177      0.297657     Biso  1.000000 S
   S51        1.0     0.889849      0.096919      0.201174     Biso  1.000000 S
   S52        1.0     0.128003      0.885190      0.796786     Biso  1.000000 S
   S53        1.0     0.353169      0.365301      0.953464     Biso  1.000000 S
   S54        1.0     0.646896      0.634970      0.049581     Biso  1.000000 S
   S55        1.0     0.151801      0.629004      0.453452     Biso  1.000000 S
   S56        1.0     0.865860      0.373725      0.548156     Biso  1.000000 S
   S57        1.0     0.880228      0.889304      0.301600     Biso  1.000000 S
   S58        1.0     0.119875      0.097354      0.700871     Biso  1.000000 S
   S59        1.0     0.623537      0.106422      0.800426     Biso  1.000000 S
   S60        1.0     0.381773      0.905252      0.200822     Biso  1.000000 S
   S61        1.0     0.139873      0.377393      0.051710     Biso  1.000000 S
   S62        1.0     0.853516      0.639228      0.949479     Biso  1.000000 S
   S63        1.0     0.363979      0.620361      0.552161     Biso  1.000000 S
   S64        1.0     0.652829      0.365512      0.451813     Biso  1.000000 S
   S65        1.0     0.318282      0.410361      0.304431     Biso  1.000000 S
   S66        1.0     0.670847      0.593818      0.697134     Biso  1.000000 S
   S67        1.0     0.178415      0.596785      0.801242     Biso  1.000000 S
   S68        1.0     0.828684      0.406567      0.198158     Biso  1.000000 S
   S69        1.0     0.857319      0.067213      0.554551     Biso  1.000000 S
   S70        1.0     0.158855      0.918553      0.447376     Biso  1.000000 S
   S71        1.0     0.650387      0.932963      0.055942     Biso  1.000000 S
   S72        1.0     0.341055      0.071486      0.946178     Biso  1.000000 S
   S73        1.0     0.175709      0.402701      0.694672     Biso  1.000000 S
   S74        1.0     0.823751      0.598396      0.301219     Biso  1.000000 S
   S75        1.0     0.322091      0.606182      0.196991     Biso  1.000000 S
   S76        1.0     0.679651      0.399850      0.797768     Biso  1.000000 S
   S77        1.0     0.660616      0.078338      0.452875     Biso  1.000000 S
   S78        1.0     0.353800      0.925791      0.548380     Biso  1.000000 S
   S79        1.0     0.842372      0.927719      0.950631     Biso  1.000000 S
   S80        1.0     0.142574      0.065408      0.046939     Biso  1.000000 S
   S81        1.0     0.821957      0.896805      0.803514     Biso  1.000000 S
   S82        1.0     0.171162      0.098717      0.196826     Biso  1.000000 S
   S83        1.0     0.686049      0.098405      0.305098     Biso  1.000000 S
   S84        1.0     0.331768      0.902264      0.696891     Biso  1.000000 S
   S85        1.0     0.346361      0.573191      0.051875     Biso  1.000000 S
   S86        1.0     0.660426      0.432784      0.944625     Biso  1.000000 S
   S87        1.0     0.154882      0.426042      0.551904     Biso  1.000000 S
   S88        1.0     0.847594      0.576329      0.447823     Biso  1.000000 S
   S89        1.0     0.674984      0.904150      0.201013     Biso  1.000000 S
   S90        1.0     0.320572      0.097119      0.804021     Biso  1.000000 S
   S91        1.0     0.831903      0.091684      0.702279     Biso  1.000000 S
   S92        1.0     0.186059      0.907845      0.304972     Biso  1.000000 S
   S93        1.0     0.158238      0.570884      0.943832     Biso  1.000000 S
   S94        1.0     0.856164      0.434677      0.051389     Biso  1.000000 S
   S95        1.0     0.348220      0.421596      0.445919     Biso  1.000000 S
   S96        1.0     0.653541      0.566685      0.554878     Biso  1.000000 S
   Na1        1.0     0.255914      0.447576      0.129129     Biso  1.000000 Na
   Na2        1.0     0.737027      0.540249      0.870517     Biso  1.000000 Na
   Na3        1.0     0.241522      0.551396      0.627162     Biso  1.000000 Na
   Na4        1.0     0.766819      0.460749      0.373244     Biso  1.000000 Na
   Na5        1.0     0.737563      0.963269      0.375984     Biso  1.000000 Na
   Na6        1.0     0.217380      0.981611      0.621946     Biso  1.000000 Na
   Na7        1.0     0.766413      0.038620      0.874198     Biso  1.000000 Na
   Na8        1.0     0.281793      0.018653      0.120533     Biso  1.000000 Na
   Na9        1.0     0.306982      0.506693      0.877430     Biso  1.000000 Na
   Na10       1.0     0.739518      0.521319      0.123380     Biso  1.000000 Na
   Na11       1.0     0.195581      0.492570      0.377741     Biso  1.000000 Na
   Na12       1.0     0.742939      0.444152      0.625458     Biso  1.000000 Na
   Na13       1.0     0.719441      0.013854      0.625365     Biso  1.000000 Na
   Na14       1.0     0.310448      0.993769      0.374965     Biso  1.000000 Na
   Na15       1.0     0.762640      0.029884      0.128236     Biso  1.000000 Na
   Na16       1.0     0.198872      0.006240      0.874956     Biso  1.000000 Na
   Na17       1.0     0.268930      0.263363      0.232141     Biso  1.000000 Na
   Na18       1.0     0.733646      0.747895      0.753319     Biso  1.000000 Na
   Na19       1.0     0.229022      0.741568      0.729431     Biso  1.000000 Na
   Na20       1.0     0.762206      0.248212      0.250548     Biso  1.000000 Na
   Na21       1.0     0.005522      0.980406      0.504181     Biso  1.000000 Na
   Na22       1.0     0.493111      0.005884      0.004990     Biso  1.000000 Na
   Na23       1.0     0.245318      0.246402      0.748935     Biso  1.000000 Na
   Na24       1.0     0.736544      0.750988      0.255083     Biso  1.000000 Na
   Na25       1.0     0.236129      0.759366      0.244957     Biso  1.000000 Na
   Na26       1.0     0.740382      0.254331      0.732644     Biso  1.000000 Na
   Na27       1.0     0.498856      0.986872      0.483268     Biso  1.000000 Na
   Na28       1.0     0.006288      0.019541      0.975878     Biso  1.000000 Na
   Na29       1.0     0.497460      0.504267      0.988907     Biso  1.000000 Na
   Na30       1.0     0.009104      0.477288      0.481307     Biso  1.000000 Na
   Na31       1.0     0.003574      0.517221      0.000596     Biso  1.000000 Na
   Na32       1.0     0.503975      0.491489      0.500315     Biso  1.000000 Na
   Na33       1.0     0.519031      0.242549      0.254370     Biso  1.000000 Na
   Na34       1.0     0.481235      0.765204      0.742850     Biso  1.000000 Na
   Na35       1.0     0.020826      0.234307      0.242484     Biso  1.000000 Na
   Na36       1.0     0.990469      0.229134      0.507418     Biso  1.000000 Na
   Na37       1.0     0.988797      0.730128      0.491865     Biso  1.000000 Na
   Na38       1.0     0.498950      0.753498      0.006392     Biso  1.000000 Na
   Na39       1.0     0.991882      0.249645      0.742169     Biso  1.000000 Na
   Na40       1.0     0.486873      0.744598      0.242517     Biso  1.000000 Na
   Na41       1.0     0.504513      0.261335      0.756359     Biso  1.000000 Na
   Na42       1.0     0.490292      0.751168      0.506710     Biso  1.000000 Na
   Na43       1.0     0.992241      0.771387      0.994511     Biso  1.000000 Na
   Na44       1.0     0.003191      0.259545      0.004414     Biso  1.000000 Na
   Na45       1.0     0.504301      0.252957      0.995027     Biso  1.000000 Na
   Na46       1.0     0.501327      0.239395      0.493587     Biso  1.000000 Na
   Na47       1.0     0.979450      0.728599      0.255063     Biso  1.000000 Na
   Na48       1.0     0.982319      0.761767      0.756485     Biso  1.000000 Na
   Na49       1.0     0.468775      0.493367      0.246558     Biso  1.000000 Na
   Na50       1.0     0.527430      0.519553      0.769577     Biso  1.000000 Na
   Na51       1.0     0.029926      0.510087      0.743338     Biso  1.000000 Na
   Na52       1.0     0.974686      0.476291      0.273534     Biso  1.000000 Na
   Na53       1.0     0.737436      0.220146      0.523469     Biso  1.000000 Na
   Na54       1.0     0.232910      0.774768      0.519564     Biso  1.000000 Na
   Na55       1.0     0.749279      0.784946      0.004170     Biso  1.000000 Na
   Na56       1.0     0.263453      0.216837      0.018578     Biso  1.000000 Na
   Na57       1.0     0.974853      0.015382      0.772795     Biso  1.000000 Na
   Na58       1.0     0.033454      0.980405      0.246588     Biso  1.000000 Na
   Na59       1.0     0.531182      0.986446      0.271135     Biso  1.000000 Na
   Na60       1.0     0.471931      0.013038      0.748280     Biso  1.000000 Na
   Na61       1.0     0.257345      0.717821      0.991491     Biso  1.000000 Na
   Na62       1.0     0.746372      0.287767      0.001622     Biso  1.000000 Na
   Na63       1.0     0.239961      0.276845      0.493749     Biso  1.000000 Na
   Na64       1.0     0.742785      0.718343      0.501591     Biso  1.000000 Na
   Na65       1.0     0.744534      0.286265      0.875143     Biso  1.000000 Na
   Na66       1.0     0.244097      0.269797      0.619393     Biso  1.000000 Na
   Na67       1.0     0.762044      0.716112      0.380076     Biso  1.000000 Na
   Na68       1.0     0.472723      0.989489      0.624514     Biso  1.000000 Na
   Na69       1.0     0.019827      0.008644      0.122801     Biso  1.000000 Na
   Na70       1.0     0.238112      0.754478      0.865169     Biso  1.000000 Na
   Na71       1.0     0.765186      0.278625      0.121133     Biso  1.000000 Na
   Na72       1.0     0.266738      0.246984      0.366857     Biso  1.000000 Na
   Na73       1.0     0.733562      0.730113      0.624116     Biso  1.000000 Na
   Na74       1.0     0.970945      0.005164      0.636949     Biso  1.000000 Na
   Na75       1.0     0.026154      0.983920      0.372145     Biso  1.000000 Na
   Na76       1.0     0.526691      0.999718      0.137815     Biso  1.000000 Na
   Na77       1.0     0.486422      0.015445      0.875468     Biso  1.000000 Na
   Na78       1.0     0.241431      0.751335      0.379299     Biso  1.000000 Na
   Na79       1.0     0.261695      0.249718      0.878650     Biso  1.000000 Na
   Na80       1.0     0.992654      0.493846      0.131320     Biso  1.000000 Na
   Na81       1.0     0.479295      0.490576      0.371193     Biso  1.000000 Na
   Na82       1.0     0.500804      0.508519      0.630521     Biso  1.000000 Na
   Na83       1.0     0.747550      0.214011      0.386992     Biso  1.000000 Na
   Na84       1.0     0.759344      0.784192      0.882105     Biso  1.000000 Na
   Na85       1.0     0.493560      0.514594      0.121007     Biso  1.000000 Na
   Na86       1.0     0.995064      0.485322      0.615828     Biso  1.000000 Na
   Na87       1.0     0.024762      0.508800      0.868630     Biso  1.000000 Na
   Na88       1.0     0.250647      0.728549      0.117559     Biso  1.000000 Na
   Na89       1.0     0.732718      0.773156      0.125640     Biso  1.000000 Na
