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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'na88.03 p8 s96 sn16                   '
_cell_length_a                         13.99238
_cell_length_b                         13.99281
_cell_length_c                         27.57981
_cell_angle_alpha                      89.98975
_cell_angle_beta                       89.69399
_cell_angle_gamma                      90.26900
_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     0.210679      0.510463      0.250375     Biso  1.000000 Sn
   Sn2        1.0     0.794192      0.498157      0.749431     Biso  1.000000 Sn
   Sn3        1.0     0.290661      0.490166      0.749682     Biso  1.000000 Sn
   Sn4        1.0     0.707278      0.502420      0.248128     Biso  1.000000 Sn
   Sn5        1.0     0.255316      0.053040      0.497621     Biso  1.000000 Sn
   Sn6        1.0     0.744771      0.040420      0.001963     Biso  1.000000 Sn
   Sn7        1.0     0.247773      0.957111      0.998382     Biso  1.000000 Sn
   Sn8        1.0     0.711912      0.995674      0.752392     Biso  1.000000 Sn
   Sn9        1.0     0.284633      0.008343      0.249845     Biso  1.000000 Sn
   Sn10       1.0     0.788467      0.004537      0.252109     Biso  1.000000 Sn
   Sn11       1.0     0.216332      0.992446      0.750198     Biso  1.000000 Sn
   Sn12       1.0     0.240101      0.460558      0.000321     Biso  1.000000 Sn
   Sn13       1.0     0.741816      0.536149      0.000527     Biso  1.000000 Sn
   Sn14       1.0     0.756120      0.464303      0.501715     Biso  1.000000 Sn
   Sn15       1.0     0.759468      0.962655      0.503631     Biso  1.000000 Sn
   Sb1        1.0     0.252711      0.547945      0.500039     Biso  1.000000 Sb
   Sb2        1.0     0.502950      0.251538      0.124130     Biso  1.000000 Sb
   Sb3        1.0     0.498960      0.753904      0.874117     Biso  1.000000 Sb
   Sb4        1.0     0.999301      0.747512      0.625322     Biso  1.000000 Sb
   Sb5        1.0     0.996728      0.246089      0.373342     Biso  1.000000 Sb
   Sb6        1.0     0.997195      0.247441      0.875050     Biso  1.000000 Sb
   Sb7        1.0     0.998699      0.753732      0.124413     Biso  1.000000 Sb
   Sb8        1.0     0.502227      0.747434      0.373787     Biso  1.000000 Sb
   Sb9        1.0     0.503907      0.247922      0.626646     Biso  1.000000 Sb
   S1         1.0     0.405416      0.348548      0.174119     Biso  1.000000 S
   S2         1.0     0.610248      0.669557      0.825961     Biso  1.000000 S
   S3         1.0     0.096761      0.652292      0.675896     Biso  1.000000 S
   S4         1.0     0.887019      0.334313      0.326894     Biso  1.000000 S
   S5         1.0     0.914610      0.135315      0.423004     Biso  1.000000 S
   S6         1.0     0.084054      0.855513      0.575144     Biso  1.000000 S
   S7         1.0     0.581253      0.862390      0.924789     Biso  1.000000 S
   S8         1.0     0.418324      0.140348      0.076161     Biso  1.000000 S
   S9         1.0     0.101670      0.332986      0.822752     Biso  1.000000 S
   S10        1.0     0.903407      0.658497      0.176398     Biso  1.000000 S
   S11        1.0     0.400950      0.665787      0.318503     Biso  1.000000 S
   S12        1.0     0.599046      0.343313      0.678272     Biso  1.000000 S
   S13        1.0     0.587360      0.136018      0.579185     Biso  1.000000 S
   S14        1.0     0.401305      0.840722      0.422826     Biso  1.000000 S
   S15        1.0     0.917797      0.865082      0.075441     Biso  1.000000 S
   S16        1.0     0.092383      0.152135      0.926167     Biso  1.000000 S
   S17        1.0     0.892929      0.832974      0.675977     Biso  1.000000 S
   S18        1.0     0.097785      0.162043      0.319528     Biso  1.000000 S
   S19        1.0     0.610659      0.169439      0.174877     Biso  1.000000 S
   S20        1.0     0.397244      0.839195      0.821801     Biso  1.000000 S
   S21        1.0     0.402075      0.656111      0.924412     Biso  1.000000 S
   S22        1.0     0.589407      0.353630      0.071692     Biso  1.000000 S
   S23        1.0     0.094774      0.341420      0.424059     Biso  1.000000 S
   S24        1.0     0.910389      0.642107      0.576332     Biso  1.000000 S
   S25        1.0     0.614460      0.834155      0.326691     Biso  1.000000 S
   S26        1.0     0.395728      0.162084      0.677093     Biso  1.000000 S
   S27        1.0     0.885643      0.166898      0.825881     Biso  1.000000 S
   S28        1.0     0.108281      0.838387      0.173807     Biso  1.000000 S
   S29        1.0     0.082836      0.649329      0.071962     Biso  1.000000 S
   S30        1.0     0.912971      0.356336      0.925181     Biso  1.000000 S
   S31        1.0     0.417551      0.349552      0.574203     Biso  1.000000 S
   S32        1.0     0.590580      0.631549      0.417055     Biso  1.000000 S
   S33        1.0     0.108072      0.405019      0.203631     Biso  1.000000 S
   S34        1.0     0.891382      0.599431      0.801167     Biso  1.000000 S
   S35        1.0     0.393647      0.596134      0.702659     Biso  1.000000 S
   S36        1.0     0.609435      0.399472      0.299340     Biso  1.000000 S
   S37        1.0     0.851847      0.861385      0.448786     Biso  1.000000 S
   S38        1.0     0.151209      0.145492      0.550922     Biso  1.000000 S
   S39        1.0     0.648437      0.140844      0.949088     Biso  1.000000 S
   S40        1.0     0.349272      0.860489      0.049926     Biso  1.000000 S
   S41        1.0     0.381108      0.384951      0.800918     Biso  1.000000 S
   S42        1.0     0.608950      0.603616      0.197412     Biso  1.000000 S
   S43        1.0     0.119148      0.616616      0.301451     Biso  1.000000 S
   S44        1.0     0.893571      0.396012      0.699014     Biso  1.000000 S
   S45        1.0     0.657475      0.863781      0.554107     Biso  1.000000 S
   S46        1.0     0.349948      0.154414      0.444786     Biso  1.000000 S
   S47        1.0     0.849677      0.140769      0.050819     Biso  1.000000 S
   S48        1.0     0.146897      0.857313      0.947731     Biso  1.000000 S
   S49        1.0     0.611659      0.898913      0.699509     Biso  1.000000 S
   S50        1.0     0.379440      0.117839      0.297815     Biso  1.000000 S
   S51        1.0     0.889344      0.101313      0.198663     Biso  1.000000 S
   S52        1.0     0.120420      0.883150      0.798450     Biso  1.000000 S
   S53        1.0     0.346181      0.358794      0.953401     Biso  1.000000 S
   S54        1.0     0.632516      0.631502      0.048493     Biso  1.000000 S
   S55        1.0     0.148488      0.642343      0.452159     Biso  1.000000 S
   S56        1.0     0.868975      0.369583      0.547838     Biso  1.000000 S
   S57        1.0     0.888443      0.898727      0.300306     Biso  1.000000 S
   S58        1.0     0.112153      0.095178      0.702639     Biso  1.000000 S
   S59        1.0     0.611484      0.100946      0.801163     Biso  1.000000 S
   S60        1.0     0.390757      0.906104      0.202654     Biso  1.000000 S
   S61        1.0     0.133865      0.368769      0.051443     Biso  1.000000 S
   S62        1.0     0.844460      0.641549      0.952704     Biso  1.000000 S
   S63        1.0     0.355772      0.638443      0.548081     Biso  1.000000 S
   S64        1.0     0.654459      0.358660      0.454200     Biso  1.000000 S
   S65        1.0     0.308852      0.408697      0.301913     Biso  1.000000 S
   S66        1.0     0.688772      0.590576      0.698024     Biso  1.000000 S
   S67        1.0     0.191157      0.590194      0.801521     Biso  1.000000 S
   S68        1.0     0.814532      0.409480      0.197087     Biso  1.000000 S
   S69        1.0     0.860987      0.063179      0.553847     Biso  1.000000 S
   S70        1.0     0.164637      0.943595      0.446623     Biso  1.000000 S
   S71        1.0     0.645841      0.942581      0.054785     Biso  1.000000 S
   S72        1.0     0.340763      0.064465      0.947203     Biso  1.000000 S
   S73        1.0     0.188924      0.402100      0.693807     Biso  1.000000 S
   S74        1.0     0.808717      0.599643      0.298910     Biso  1.000000 S
   S75        1.0     0.312272      0.596949      0.193918     Biso  1.000000 S
   S76        1.0     0.692188      0.400546      0.800376     Biso  1.000000 S
   S77        1.0     0.657511      0.064134      0.455169     Biso  1.000000 S
   S78        1.0     0.350712      0.954416      0.549530     Biso  1.000000 S
   S79        1.0     0.837647      0.933111      0.952140     Biso  1.000000 S
   S80        1.0     0.150081      0.058047      0.049319     Biso  1.000000 S
   S81        1.0     0.808168      0.897181      0.805161     Biso  1.000000 S
   S82        1.0     0.181647      0.095842      0.195932     Biso  1.000000 S
   S83        1.0     0.691947      0.103100      0.305214     Biso  1.000000 S
   S84        1.0     0.319893      0.904315      0.696283     Biso  1.000000 S
   S85        1.0     0.340709      0.560797      0.051514     Biso  1.000000 S
   S86        1.0     0.654197      0.431804      0.946788     Biso  1.000000 S
   S87        1.0     0.157302      0.446533      0.549788     Biso  1.000000 S
   S88        1.0     0.842088      0.572870      0.448538     Biso  1.000000 S
   S89        1.0     0.680899      0.911875      0.202176     Biso  1.000000 S
   S90        1.0     0.309340      0.092683      0.805357     Biso  1.000000 S
   S91        1.0     0.820759      0.088847      0.702784     Biso  1.000000 S
   S92        1.0     0.190094      0.907358      0.304315     Biso  1.000000 S
   S93        1.0     0.152997      0.562118      0.944629     Biso  1.000000 S
   S94        1.0     0.841962      0.443068      0.055190     Biso  1.000000 S
   S95        1.0     0.340189      0.449330      0.446114     Biso  1.000000 S
   S96        1.0     0.656940      0.555266      0.557635     Biso  1.000000 S
   Na1        1.0     0.247364      0.446618      0.127322     Biso  1.000000 Na
   Na2        1.0     0.746794      0.536087      0.872820     Biso  1.000000 Na
   Na3        1.0     0.254595      0.554657      0.628668     Biso  1.000000 Na
   Na4        1.0     0.746387      0.470019      0.373715     Biso  1.000000 Na
   Na5        1.0     0.748254      0.969100      0.376225     Biso  1.000000 Na
   Na6        1.0     0.215107      0.994839      0.621682     Biso  1.000000 Na
   Na7        1.0     0.750736      0.033327      0.875078     Biso  1.000000 Na
   Na8        1.0     0.284216      0.001210      0.122304     Biso  1.000000 Na
   Na9        1.0     0.303197      0.497243      0.877315     Biso  1.000000 Na
   Na10       1.0     0.748899      0.559658      0.126522     Biso  1.000000 Na
   Na11       1.0     0.189470      0.497838      0.375798     Biso  1.000000 Na
   Na12       1.0     0.755185      0.441766      0.627659     Biso  1.000000 Na
   Na13       1.0     0.721465      0.002788      0.625505     Biso  1.000000 Na
   Na14       1.0     0.313731      0.001456      0.376989     Biso  1.000000 Na
   Na15       1.0     0.782943      0.998692      0.124694     Biso  1.000000 Na
   Na16       1.0     0.192281      0.997776      0.876601     Biso  1.000000 Na
   Na17       1.0     0.256283      0.261775      0.234252     Biso  1.000000 Na
   Na18       1.0     0.744746      0.747806      0.750684     Biso  1.000000 Na
   Na19       1.0     0.243108      0.739845      0.735913     Biso  1.000000 Na
   Na20       1.0     0.754322      0.255365      0.252314     Biso  1.000000 Na
   Na21       1.0     0.006624      0.982747      0.501678     Biso  1.000000 Na
   Na22       1.0     0.495769      0.007386      0.001490     Biso  1.000000 Na
   Na23       1.0     0.247001      0.244753      0.749710     Biso  1.000000 Na
   Na24       1.0     0.756186      0.747769      0.237366     Biso  1.000000 Na
   Na25       1.0     0.256546      0.758157      0.246394     Biso  1.000000 Na
   Na26       1.0     0.746031      0.253326      0.738078     Biso  1.000000 Na
   Na27       1.0     0.511727      0.944311      0.491886     Biso  1.000000 Na
   Na28       1.0     0.003819      0.003353      0.987157     Biso  1.000000 Na
   Na29       1.0     0.488794      0.509200      0.984799     Biso  1.000000 Na
   Na30       1.0     0.001380      0.480834      0.484165     Biso  1.000000 Na
   Na31       1.0     0.994068      0.503012      0.998502     Biso  1.000000 Na
   Na32       1.0     0.505540      0.515297      0.496881     Biso  1.000000 Na
   Na33       1.0     0.507181      0.248903      0.255498     Biso  1.000000 Na
   Na34       1.0     0.494259      0.755717      0.741238     Biso  1.000000 Na
   Na35       1.0     0.002137      0.247608      0.240478     Biso  1.000000 Na
   Na36       1.0     0.988851      0.225741      0.507640     Biso  1.000000 Na
   Na37       1.0     0.975578      0.730149      0.492309     Biso  1.000000 Na
   Na38       1.0     0.502202      0.759908      0.006374     Biso  1.000000 Na
   Na39       1.0     0.993111      0.243321      0.742556     Biso  1.000000 Na
   Na40       1.0     0.512078      0.758632      0.241682     Biso  1.000000 Na
   Na41       1.0     0.502056      0.251352      0.758543     Biso  1.000000 Na
   Na42       1.0     0.995150      0.756133      0.992330     Biso  1.000000 Na
   Na43       1.0     0.002472      0.247394      0.007168     Biso  1.000000 Na
   Na44       1.0     0.505946      0.258602      0.990997     Biso  1.000000 Na
   Na45       1.0     0.510804      0.222471      0.493466     Biso  1.000000 Na
   Na46       1.0     0.000634      0.750077      0.256730     Biso  1.000000 Na
   Na47       1.0     0.992304      0.751604      0.756905     Biso  1.000000 Na
   Na48       1.0     0.458624      0.500900      0.244627     Biso  1.000000 Na
   Na49       1.0     0.540249      0.507933      0.765906     Biso  1.000000 Na
   Na50       1.0     0.043008      0.499271      0.746706     Biso  1.000000 Na
   Na51       1.0     0.960715      0.492677      0.265217     Biso  1.000000 Na
   Na52       1.0     0.743684      0.212520      0.521340     Biso  1.000000 Na
   Na53       1.0     0.253678      0.801385      0.509316     Biso  1.000000 Na
   Na54       1.0     0.755181      0.789639      0.019859     Biso  1.000000 Na
   Na55       1.0     0.258608      0.211322      0.015911     Biso  1.000000 Na
   Na56       1.0     0.962699      0.004040      0.769523     Biso  1.000000 Na
   Na57       1.0     0.039220      0.998491      0.249967     Biso  1.000000 Na
   Na58       1.0     0.537752      0.995254      0.270804     Biso  1.000000 Na
   Na59       1.0     0.461148      0.003720      0.749829     Biso  1.000000 Na
   Na60       1.0     0.250469      0.708626      0.995390     Biso  1.000000 Na
   Na61       1.0     0.754053      0.291189      0.999873     Biso  1.000000 Na
   Na62       1.0     0.248105      0.294843      0.495903     Biso  1.000000 Na
   Na63       1.0     0.712965      0.709739      0.495131     Biso  1.000000 Na
   Na64       1.0     0.737083      0.282997      0.878242     Biso  1.000000 Na
   Na65       1.0     0.249141      0.266344      0.621743     Biso  1.000000 Na
   Na66       1.0     0.764850      0.721001      0.375306     Biso  1.000000 Na
   Na67       1.0     0.470051      0.987113      0.628040     Biso  1.000000 Na
   Na68       1.0     0.032921      0.014008      0.128159     Biso  1.000000 Na
   Na69       1.0     0.233151      0.748250      0.867269     Biso  1.000000 Na
   Na70       1.0     0.760289      0.280178      0.121188     Biso  1.000000 Na
   Na71       1.0     0.261650      0.245098      0.363923     Biso  1.000000 Na
   Na72       1.0     0.740804      0.721395      0.619957     Biso  1.000000 Na
   Na73       1.0     0.966221      0.009202      0.637817     Biso  1.000000 Na
   Na74       1.0     0.030601      0.988950      0.371284     Biso  1.000000 Na
   Na75       1.0     0.536583      0.992515      0.138311     Biso  1.000000 Na
   Na76       1.0     0.470813      0.011130      0.871158     Biso  1.000000 Na
   Na77       1.0     0.241027      0.756324      0.372429     Biso  1.000000 Na
   Na78       1.0     0.261127      0.239724      0.879598     Biso  1.000000 Na
   Na79       1.0     0.989929      0.489656      0.129159     Biso  1.000000 Na
   Na80       1.0     0.470127      0.493992      0.363859     Biso  1.000000 Na
   Na81       1.0     0.516966      0.507095      0.632179     Biso  1.000000 Na
   Na82       1.0     0.737081      0.212830      0.389729     Biso  1.000000 Na
   Na83       1.0     0.758367      0.787364      0.888191     Biso  1.000000 Na
   Na84       1.0     0.499526      0.517938      0.116493     Biso  1.000000 Na
   Na85       1.0     0.001173      0.484274      0.620889     Biso  1.000000 Na
   Na86       1.0     0.028775      0.505361      0.868272     Biso  1.000000 Na
   Na87       1.0     0.255931      0.719855      0.116820     Biso  1.000000 Na
