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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'na88.03 p8 s96 sn16                   '
_cell_length_a                         13.81453
_cell_length_b                         13.80525
_cell_length_c                         27.29976
_cell_angle_alpha                      90.13773
_cell_angle_beta                       89.65896
_cell_angle_gamma                      90.01675
_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     0.222296      0.508160      0.252060     Biso  1.000000 Sn
   Sn2        1.0     0.779961      0.496328      0.748580     Biso  1.000000 Sn
   Sn3        1.0     0.277642      0.493444      0.748509     Biso  1.000000 Sn
   Sn4        1.0     0.719685      0.500953      0.246598     Biso  1.000000 Sn
   Sn5        1.0     0.248908      0.042997      0.499482     Biso  1.000000 Sn
   Sn6        1.0     0.724079      0.994444      0.750559     Biso  1.000000 Sn
   Sn7        1.0     0.273577      0.005855      0.250115     Biso  1.000000 Sn
   Sn8        1.0     0.776408      0.003569      0.253429     Biso  1.000000 Sn
   Sn9        1.0     0.226920      0.994666      0.751229     Biso  1.000000 Sn
   Sn10       1.0     0.752152      0.465052      0.499318     Biso  1.000000 Sn
   Sn11       1.0     0.745719      0.028086      0.002012     Biso  1.000000 Sn
   Sn12       1.0     0.745164      0.525282      0.999509     Biso  1.000000 Sn
   Sn13       1.0     0.243032      0.474124      0.000468     Biso  1.000000 Sn
   Sn14       1.0     0.248428      0.971430      0.998378     Biso  1.000000 Sn
   P1         1.0     0.254673      0.536767      0.499296     Biso  1.000000 P
   P2         1.0     0.754085      0.965747      0.501452     Biso  1.000000 P
   P3         1.0     0.510178      0.252429      0.124937     Biso  1.000000 P
   P4         1.0     0.498958      0.761380      0.874300     Biso  1.000000 P
   P5         1.0     0.995324      0.746123      0.625165     Biso  1.000000 P
   P6         1.0     0.995707      0.242019      0.371993     Biso  1.000000 P
   P7         1.0     0.998247      0.250722      0.874999     Biso  1.000000 P
   P8         1.0     0.000633      0.752299      0.124853     Biso  1.000000 P
   P9         1.0     0.499923      0.746423      0.371025     Biso  1.000000 P
   P10        1.0     0.500730      0.247373      0.629151     Biso  1.000000 P
   S1         1.0     0.421878      0.339016      0.168408     Biso  1.000000 S
   S2         1.0     0.592752      0.678908      0.831818     Biso  1.000000 S
   S3         1.0     0.075472      0.654944      0.669962     Biso  1.000000 S
   S4         1.0     0.902383      0.324509      0.330115     Biso  1.000000 S
   S5         1.0     0.917282      0.147629      0.414673     Biso  1.000000 S
   S6         1.0     0.087043      0.845528      0.592763     Biso  1.000000 S
   S7         1.0     0.577573      0.852288      0.918734     Biso  1.000000 S
   S8         1.0     0.428312      0.158060      0.082958     Biso  1.000000 S
   S9         1.0     0.088402      0.329317      0.829265     Biso  1.000000 S
   S10        1.0     0.913558      0.667268      0.168751     Biso  1.000000 S
   S11        1.0     0.412341      0.671892      0.322247     Biso  1.000000 S
   S12        1.0     0.589176      0.330896      0.672762     Biso  1.000000 S
   S13        1.0     0.578107      0.152072      0.585638     Biso  1.000000 S
   S14        1.0     0.412980      0.828760      0.415556     Biso  1.000000 S
   S15        1.0     0.923241      0.848955      0.082862     Biso  1.000000 S
   S16        1.0     0.082361      0.162523      0.918233     Biso  1.000000 S
   S17        1.0     0.896315      0.819651      0.668342     Biso  1.000000 S
   S18        1.0     0.084830      0.164363      0.325457     Biso  1.000000 S
   S19        1.0     0.601442      0.174362      0.169197     Biso  1.000000 S
   S20        1.0     0.411527      0.841487      0.829194     Biso  1.000000 S
   S21        1.0     0.411883      0.673746      0.917721     Biso  1.000000 S
   S22        1.0     0.589981      0.339996      0.079194     Biso  1.000000 S
   S23        1.0     0.079759      0.328823      0.416977     Biso  1.000000 S
   S24        1.0     0.925251      0.665100      0.573434     Biso  1.000000 S
   S25        1.0     0.597237      0.828427      0.330875     Biso  1.000000 S
   S26        1.0     0.409277      0.168775      0.674745     Biso  1.000000 S
   S27        1.0     0.901646      0.174123      0.832398     Biso  1.000000 S
   S28        1.0     0.094046      0.828973      0.169545     Biso  1.000000 S
   S29        1.0     0.078193      0.662746      0.078216     Biso  1.000000 S
   S30        1.0     0.921390      0.343706      0.920339     Biso  1.000000 S
   S31        1.0     0.420665      0.337406      0.585058     Biso  1.000000 S
   S32        1.0     0.579847      0.648364      0.411132     Biso  1.000000 S
   S33        1.0     0.120114      0.402358      0.203826     Biso  1.000000 S
   S34        1.0     0.875318      0.601226      0.801075     Biso  1.000000 S
   S35        1.0     0.380836      0.599440      0.700403     Biso  1.000000 S
   S36        1.0     0.621636      0.397121      0.298933     Biso  1.000000 S
   S37        1.0     0.830143      0.877255      0.453552     Biso  1.000000 S
   S38        1.0     0.146453      0.140527      0.553312     Biso  1.000000 S
   S39        1.0     0.648826      0.131341      0.949087     Biso  1.000000 S
   S40        1.0     0.352274      0.875316      0.050757     Biso  1.000000 S
   S41        1.0     0.371157      0.389185      0.800897     Biso  1.000000 S
   S42        1.0     0.618533      0.601752      0.195583     Biso  1.000000 S
   S43        1.0     0.127294      0.614047      0.303783     Biso  1.000000 S
   S44        1.0     0.882750      0.395242      0.697648     Biso  1.000000 S
   S45        1.0     0.668152      0.881734      0.546779     Biso  1.000000 S
   S46        1.0     0.347809      0.144510      0.446627     Biso  1.000000 S
   S47        1.0     0.854907      0.127809      0.050492     Biso  1.000000 S
   S48        1.0     0.148597      0.868819      0.947332     Biso  1.000000 S
   S49        1.0     0.619574      0.898360      0.697978     Biso  1.000000 S
   S50        1.0     0.371755      0.115818      0.297785     Biso  1.000000 S
   S51        1.0     0.878901      0.100589      0.199647     Biso  1.000000 S
   S52        1.0     0.126380      0.884638      0.797903     Biso  1.000000 S
   S53        1.0     0.349671      0.371041      0.952652     Biso  1.000000 S
   S54        1.0     0.634979      0.624542      0.047068     Biso  1.000000 S
   S55        1.0     0.167377      0.623970      0.457020     Biso  1.000000 S
   S56        1.0     0.867247      0.370609      0.546813     Biso  1.000000 S
   S57        1.0     0.876214      0.895097      0.302040     Biso  1.000000 S
   S58        1.0     0.121828      0.099137      0.703208     Biso  1.000000 S
   S59        1.0     0.626391      0.104372      0.800437     Biso  1.000000 S
   S60        1.0     0.380180      0.903430      0.201058     Biso  1.000000 S
   S61        1.0     0.137147      0.379527      0.052120     Biso  1.000000 S
   S62        1.0     0.848776      0.630951      0.950925     Biso  1.000000 S
   S63        1.0     0.342174      0.618968      0.543210     Biso  1.000000 S
   S64        1.0     0.647817      0.356631      0.453015     Biso  1.000000 S
   S65        1.0     0.321279      0.403514      0.303368     Biso  1.000000 S
   S66        1.0     0.671869      0.589949      0.697671     Biso  1.000000 S
   S67        1.0     0.177562      0.596514      0.800379     Biso  1.000000 S
   S68        1.0     0.829751      0.405533      0.196416     Biso  1.000000 S
   S69        1.0     0.850519      0.045921      0.543213     Biso  1.000000 S
   S70        1.0     0.158217      0.930601      0.448765     Biso  1.000000 S
   S71        1.0     0.643519      0.930497      0.054741     Biso  1.000000 S
   S72        1.0     0.343657      0.080856      0.948065     Biso  1.000000 S
   S73        1.0     0.174502      0.400729      0.693747     Biso  1.000000 S
   S74        1.0     0.821574      0.602082      0.296850     Biso  1.000000 S
   S75        1.0     0.323990      0.597108      0.195177     Biso  1.000000 S
   S76        1.0     0.677003      0.396548      0.799539     Biso  1.000000 S
   S77        1.0     0.666242      0.058556      0.462547     Biso  1.000000 S
   S78        1.0     0.348818      0.940796      0.549809     Biso  1.000000 S
   S79        1.0     0.841276      0.918391      0.952591     Biso  1.000000 S
   S80        1.0     0.146651      0.073962      0.048806     Biso  1.000000 S
   S81        1.0     0.820890      0.893048      0.803447     Biso  1.000000 S
   S82        1.0     0.168637      0.097554      0.196974     Biso  1.000000 S
   S83        1.0     0.676901      0.105916      0.305858     Biso  1.000000 S
   S84        1.0     0.332346      0.902847      0.697790     Biso  1.000000 S
   S85        1.0     0.346523      0.574651      0.051338     Biso  1.000000 S
   S86        1.0     0.652703      0.419452      0.946864     Biso  1.000000 S
   S87        1.0     0.165603      0.450002      0.542616     Biso  1.000000 S
   S88        1.0     0.836656      0.573271      0.445038     Biso  1.000000 S
   S89        1.0     0.668006      0.909472      0.203080     Biso  1.000000 S
   S90        1.0     0.320589      0.097294      0.806080     Biso  1.000000 S
   S91        1.0     0.834461      0.089384      0.700905     Biso  1.000000 S
   S92        1.0     0.179657      0.903424      0.305077     Biso  1.000000 S
   S93        1.0     0.152655      0.576800      0.945016     Biso  1.000000 S
   S94        1.0     0.847100      0.431091      0.054077     Biso  1.000000 S
   S95        1.0     0.337043      0.447588      0.453941     Biso  1.000000 S
   S96        1.0     0.655249      0.561315      0.556526     Biso  1.000000 S
   Na1        1.0     0.259148      0.449269      0.127377     Biso  1.000000 Na
   Na2        1.0     0.731297      0.534164      0.872230     Biso  1.000000 Na
   Na3        1.0     0.240307      0.553183      0.625556     Biso  1.000000 Na
   Na4        1.0     0.758403      0.465611      0.370928     Biso  1.000000 Na
   Na5        1.0     0.732329      0.968038      0.375822     Biso  1.000000 Na
   Na6        1.0     0.220880      0.993440      0.624424     Biso  1.000000 Na
   Na7        1.0     0.765155      0.030501      0.875130     Biso  1.000000 Na
   Na8        1.0     0.282957      0.017711      0.122433     Biso  1.000000 Na
   Na9        1.0     0.300530      0.510055      0.876280     Biso  1.000000 Na
   Na10       1.0     0.758758      0.555283      0.124584     Biso  1.000000 Na
   Na11       1.0     0.191114      0.487275      0.378835     Biso  1.000000 Na
   Na12       1.0     0.742555      0.432047      0.625156     Biso  1.000000 Na
   Na13       1.0     0.721861      0.012470      0.624032     Biso  1.000000 Na
   Na14       1.0     0.309741      0.991526      0.377547     Biso  1.000000 Na
   Na15       1.0     0.781033      0.985534      0.125895     Biso  1.000000 Na
   Na16       1.0     0.196363      0.007362      0.875967     Biso  1.000000 Na
   Na17       1.0     0.268063      0.259193      0.230759     Biso  1.000000 Na
   Na18       1.0     0.731679      0.744885      0.753785     Biso  1.000000 Na
   Na19       1.0     0.226749      0.741539      0.727637     Biso  1.000000 Na
   Na20       1.0     0.764069      0.253964      0.254382     Biso  1.000000 Na
   Na21       1.0     0.996190      0.913449      0.509026     Biso  1.000000 Na
   Na22       1.0     0.495295      0.019618      0.005924     Biso  1.000000 Na
   Na23       1.0     0.246355      0.247311      0.750884     Biso  1.000000 Na
   Na24       1.0     0.762648      0.747315      0.231763     Biso  1.000000 Na
   Na25       1.0     0.259372      0.755064      0.249780     Biso  1.000000 Na
   Na26       1.0     0.740369      0.249389      0.734962     Biso  1.000000 Na
   Na27       1.0     0.506332      0.939718      0.486847     Biso  1.000000 Na
   Na28       1.0     0.002495      0.012484      0.983024     Biso  1.000000 Na
   Na29       1.0     0.491586      0.522760      0.979224     Biso  1.000000 Na
   Na30       1.0     0.004062      0.513945      0.487839     Biso  1.000000 Na
   Na31       1.0     0.996919      0.507462      0.999927     Biso  1.000000 Na
   Na32       1.0     0.501672      0.545048      0.492300     Biso  1.000000 Na
   Na33       1.0     0.515149      0.240806      0.256901     Biso  1.000000 Na
   Na34       1.0     0.480755      0.763374      0.740500     Biso  1.000000 Na
   Na35       1.0     0.011129      0.242060      0.239111     Biso  1.000000 Na
   Na36       1.0     0.989635      0.223886      0.501029     Biso  1.000000 Na
   Na37       1.0     0.510691      0.770321      0.007149     Biso  1.000000 Na
   Na38       1.0     0.993754      0.249130      0.743219     Biso  1.000000 Na
   Na39       1.0     0.513911      0.755107      0.240504     Biso  1.000000 Na
   Na40       1.0     0.504305      0.259018      0.760170     Biso  1.000000 Na
   Na41       1.0     0.999470      0.760135      0.993041     Biso  1.000000 Na
   Na42       1.0     0.010121      0.248700      0.006870     Biso  1.000000 Na
   Na43       1.0     0.512636      0.269079      0.991190     Biso  1.000000 Na
   Na44       1.0     0.493748      0.242827      0.500012     Biso  1.000000 Na
   Na45       1.0     0.999577      0.742605      0.256915     Biso  1.000000 Na
   Na46       1.0     0.980486      0.758813      0.757082     Biso  1.000000 Na
   Na47       1.0     0.470754      0.493368      0.243138     Biso  1.000000 Na
   Na48       1.0     0.526246      0.517157      0.768692     Biso  1.000000 Na
   Na49       1.0     0.028710      0.506336      0.745074     Biso  1.000000 Na
   Na50       1.0     0.973351      0.483268      0.269542     Biso  1.000000 Na
   Na51       1.0     0.737000      0.215952      0.523357     Biso  1.000000 Na
   Na52       1.0     0.235694      0.785644      0.516109     Biso  1.000000 Na
   Na53       1.0     0.763863      0.777463      0.023073     Biso  1.000000 Na
   Na54       1.0     0.268290      0.225174      0.020054     Biso  1.000000 Na
   Na55       1.0     0.974374      0.013895      0.774154     Biso  1.000000 Na
   Na56       1.0     0.027129      0.995100      0.251398     Biso  1.000000 Na
   Na57       1.0     0.524466      0.987083      0.273278     Biso  1.000000 Na
   Na58       1.0     0.473571      0.010090      0.749833     Biso  1.000000 Na
   Na59       1.0     0.260352      0.722848      0.993299     Biso  1.000000 Na
   Na60       1.0     0.760060      0.278774      0.999020     Biso  1.000000 Na
   Na61       1.0     0.234624      0.288220      0.492558     Biso  1.000000 Na
   Na62       1.0     0.743202      0.714704      0.499714     Biso  1.000000 Na
   Na63       1.0     0.740695      0.278263      0.875386     Biso  1.000000 Na
   Na64       1.0     0.246912      0.259323      0.624228     Biso  1.000000 Na
   Na65       1.0     0.754762      0.718721      0.371720     Biso  1.000000 Na
   Na66       1.0     0.469576      0.993404      0.626375     Biso  1.000000 Na
   Na67       1.0     0.028380      0.009528      0.125587     Biso  1.000000 Na
   Na68       1.0     0.236770      0.756032      0.864774     Biso  1.000000 Na
   Na69       1.0     0.765482      0.269014      0.123467     Biso  1.000000 Na
   Na70       1.0     0.256182      0.238569      0.364132     Biso  1.000000 Na
   Na71       1.0     0.747987      0.710578      0.622444     Biso  1.000000 Na
   Na72       1.0     0.976732      0.999388      0.639845     Biso  1.000000 Na
   Na73       1.0     0.027823      0.991196      0.375016     Biso  1.000000 Na
   Na74       1.0     0.529043      0.994595      0.137362     Biso  1.000000 Na
   Na75       1.0     0.482401      0.016824      0.874767     Biso  1.000000 Na
   Na76       1.0     0.243562      0.745059      0.376459     Biso  1.000000 Na
   Na77       1.0     0.258730      0.249582      0.880828     Biso  1.000000 Na
   Na78       1.0     0.000471      0.491272      0.130153     Biso  1.000000 Na
   Na79       1.0     0.473996      0.494244      0.365137     Biso  1.000000 Na
   Na80       1.0     0.508239      0.503814      0.631562     Biso  1.000000 Na
   Na81       1.0     0.740679      0.222685      0.385804     Biso  1.000000 Na
   Na82       1.0     0.757410      0.779161      0.886279     Biso  1.000000 Na
   Na83       1.0     0.506015      0.514482      0.115029     Biso  1.000000 Na
   Na84       1.0     0.988583      0.489566      0.617621     Biso  1.000000 Na
   Na85       1.0     0.018131      0.508613      0.870637     Biso  1.000000 Na
   Na86       1.0     0.256858      0.730218      0.119477     Biso  1.000000 Na
