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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'na88.03 p8 s96 sn16                   '
_cell_length_a                         13.87157
_cell_length_b                         13.86831
_cell_length_c                         27.41521
_cell_angle_alpha                      90.38127
_cell_angle_beta                       90.37278
_cell_angle_gamma                      89.75373
_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     0.218767      0.511581      0.252322     Biso  1.000000 Sn
   Sn2        1.0     0.791256      0.498869      0.747257     Biso  1.000000 Sn
   Sn3        1.0     0.290539      0.499884      0.750564     Biso  1.000000 Sn
   Sn4        1.0     0.718055      0.501674      0.248998     Biso  1.000000 Sn
   Sn5        1.0     0.755149      0.969033      0.502896     Biso  1.000000 Sn
   Sn6        1.0     0.253515      0.029719      0.497091     Biso  1.000000 Sn
   Sn7        1.0     0.751845      0.040396      0.003885     Biso  1.000000 Sn
   Sn8        1.0     0.248536      0.960590      0.996944     Biso  1.000000 Sn
   Sn9        1.0     0.720049      0.996026      0.752303     Biso  1.000000 Sn
   Sn10       1.0     0.279127      0.008967      0.249881     Biso  1.000000 Sn
   Sn11       1.0     0.785172      0.999762      0.253075     Biso  1.000000 Sn
   Sn12       1.0     0.223892      0.001063      0.747413     Biso  1.000000 Sn
   Sn13       1.0     0.241510      0.464827      0.001606     Biso  1.000000 Sn
   Sn14       1.0     0.748332      0.541991      0.998995     Biso  1.000000 Sn
   Sn15       1.0     0.258024      0.526918      0.500854     Biso  1.000000 Sn
   Sn16       1.0     0.755895      0.471408      0.500126     Biso  1.000000 Sn
   Sn17       1.0     0.508062      0.254246      0.123868     Biso  1.000000 Sn
   Sn18       1.0     0.503249      0.753399      0.875556     Biso  1.000000 Sn
   P1         1.0     0.987242      0.752275      0.125080     Biso  1.000000 P
   P2         1.0     0.992235      0.749254      0.624131     Biso  1.000000 P
   P3         1.0     0.004351      0.238203      0.375843     Biso  1.000000 P
   P4         1.0     0.001407      0.254515      0.873280     Biso  1.000000 P
   P5         1.0     0.502942      0.746010      0.375552     Biso  1.000000 P
   P6         1.0     0.497867      0.250344      0.624418     Biso  1.000000 P
   S1         1.0     0.410506      0.350479      0.177694     Biso  1.000000 S
   S2         1.0     0.614161      0.662051      0.825213     Biso  1.000000 S
   S3         1.0     0.081306      0.664166      0.667358     Biso  1.000000 S
   S4         1.0     0.907300      0.315941      0.333461     Biso  1.000000 S
   S5         1.0     0.928987      0.144969      0.419580     Biso  1.000000 S
   S6         1.0     0.071720      0.843512      0.582152     Biso  1.000000 S
   S7         1.0     0.588621      0.858407      0.931103     Biso  1.000000 S
   S8         1.0     0.420921      0.136835      0.076085     Biso  1.000000 S
   S9         1.0     0.090036      0.328800      0.825868     Biso  1.000000 S
   S10        1.0     0.893160      0.670394      0.165710     Biso  1.000000 S
   S11        1.0     0.411377      0.667560      0.331274     Biso  1.000000 S
   S12        1.0     0.580532      0.337075      0.670106     Biso  1.000000 S
   S13        1.0     0.580379      0.154675      0.584443     Biso  1.000000 S
   S14        1.0     0.420881      0.837412      0.418015     Biso  1.000000 S
   S15        1.0     0.910958      0.851085      0.084439     Biso  1.000000 S
   S16        1.0     0.088097      0.171721      0.918028     Biso  1.000000 S
   S17        1.0     0.900791      0.826586      0.668791     Biso  1.000000 S
   S18        1.0     0.094942      0.161097      0.331077     Biso  1.000000 S
   S19        1.0     0.625730      0.171221      0.173588     Biso  1.000000 S
   S20        1.0     0.401429      0.848662      0.823633     Biso  1.000000 S
   S21        1.0     0.409496      0.640574      0.922496     Biso  1.000000 S
   S22        1.0     0.590043      0.363608      0.069948     Biso  1.000000 S
   S23        1.0     0.087289      0.328392      0.419657     Biso  1.000000 S
   S24        1.0     0.912920      0.660949      0.578642     Biso  1.000000 S
   S25        1.0     0.598818      0.820499      0.332132     Biso  1.000000 S
   S26        1.0     0.402872      0.173347      0.666520     Biso  1.000000 S
   S27        1.0     0.905122      0.172439      0.833492     Biso  1.000000 S
   S28        1.0     0.082173      0.824232      0.171309     Biso  1.000000 S
   S29        1.0     0.066089      0.663157      0.079496     Biso  1.000000 S
   S30        1.0     0.924152      0.351325      0.915663     Biso  1.000000 S
   S31        1.0     0.423454      0.337804      0.576240     Biso  1.000000 S
   S32        1.0     0.579697      0.654699      0.421173     Biso  1.000000 S
   S33        1.0     0.114304      0.405183      0.205430     Biso  1.000000 S
   S34        1.0     0.892409      0.602090      0.797740     Biso  1.000000 S
   S35        1.0     0.387876      0.604246      0.700592     Biso  1.000000 S
   S36        1.0     0.623481      0.397860      0.300680     Biso  1.000000 S
   S37        1.0     0.850912      0.864661      0.450115     Biso  1.000000 S
   S38        1.0     0.149674      0.126692      0.549206     Biso  1.000000 S
   S39        1.0     0.651311      0.138474      0.949888     Biso  1.000000 S
   S40        1.0     0.349077      0.860583      0.048962     Biso  1.000000 S
   S41        1.0     0.388372      0.398828      0.803660     Biso  1.000000 S
   S42        1.0     0.615722      0.605692      0.199191     Biso  1.000000 S
   S43        1.0     0.122149      0.617456      0.302626     Biso  1.000000 S
   S44        1.0     0.887831      0.394351      0.695990     Biso  1.000000 S
   S45        1.0     0.646064      0.871389      0.551135     Biso  1.000000 S
   S46        1.0     0.354098      0.131472      0.447230     Biso  1.000000 S
   S47        1.0     0.854576      0.146593      0.051979     Biso  1.000000 S
   S48        1.0     0.148447      0.861775      0.943763     Biso  1.000000 S
   S49        1.0     0.619301      0.896931      0.699192     Biso  1.000000 S
   S50        1.0     0.378604      0.117732      0.297553     Biso  1.000000 S
   S51        1.0     0.891018      0.096880      0.203287     Biso  1.000000 S
   S52        1.0     0.128324      0.890576      0.795050     Biso  1.000000 S
   S53        1.0     0.349650      0.362486      0.954336     Biso  1.000000 S
   S54        1.0     0.643281      0.639779      0.050510     Biso  1.000000 S
   S55        1.0     0.151866      0.630360      0.453741     Biso  1.000000 S
   S56        1.0     0.866143      0.374340      0.548048     Biso  1.000000 S
   S57        1.0     0.880006      0.888919      0.302540     Biso  1.000000 S
   S58        1.0     0.114485      0.102656      0.700289     Biso  1.000000 S
   S59        1.0     0.619561      0.103874      0.801037     Biso  1.000000 S
   S60        1.0     0.382491      0.904747      0.200991     Biso  1.000000 S
   S61        1.0     0.135893      0.373022      0.052597     Biso  1.000000 S
   S62        1.0     0.851336      0.644449      0.950522     Biso  1.000000 S
   S63        1.0     0.364792      0.622091      0.551479     Biso  1.000000 S
   S64        1.0     0.653974      0.365248      0.451344     Biso  1.000000 S
   S65        1.0     0.316728      0.409990      0.304894     Biso  1.000000 S
   S66        1.0     0.686210      0.590816      0.693822     Biso  1.000000 S
   S67        1.0     0.184083      0.599020      0.800096     Biso  1.000000 S
   S68        1.0     0.826181      0.408053      0.197901     Biso  1.000000 S
   S69        1.0     0.856889      0.067212      0.555185     Biso  1.000000 S
   S70        1.0     0.158998      0.919802      0.447117     Biso  1.000000 S
   S71        1.0     0.656393      0.942522      0.059006     Biso  1.000000 S
   S72        1.0     0.343054      0.069098      0.946879     Biso  1.000000 S
   S73        1.0     0.189213      0.407831      0.695376     Biso  1.000000 S
   S74        1.0     0.821698      0.598101      0.301234     Biso  1.000000 S
   S75        1.0     0.320421      0.604713      0.197961     Biso  1.000000 S
   S76        1.0     0.688206      0.401072      0.798453     Biso  1.000000 S
   S77        1.0     0.661016      0.078657      0.453509     Biso  1.000000 S
   S78        1.0     0.354659      0.928328      0.547659     Biso  1.000000 S
   S79        1.0     0.846554      0.932924      0.953086     Biso  1.000000 S
   S80        1.0     0.143907      0.059719      0.046556     Biso  1.000000 S
   S81        1.0     0.819975      0.896599      0.804588     Biso  1.000000 S
   S82        1.0     0.171531      0.097456      0.196875     Biso  1.000000 S
   S83        1.0     0.685896      0.098914      0.305547     Biso  1.000000 S
   S84        1.0     0.327396      0.910303      0.693634     Biso  1.000000 S
   S85        1.0     0.338836      0.567344      0.055069     Biso  1.000000 S
   S86        1.0     0.657849      0.439694      0.942939     Biso  1.000000 S
   S87        1.0     0.155495      0.428384      0.552004     Biso  1.000000 S
   S88        1.0     0.847341      0.576273      0.447868     Biso  1.000000 S
   S89        1.0     0.675256      0.906111      0.201917     Biso  1.000000 S
   S90        1.0     0.319080      0.105895      0.801385     Biso  1.000000 S
   S91        1.0     0.827990      0.091752      0.703735     Biso  1.000000 S
   S92        1.0     0.187065      0.907846      0.304958     Biso  1.000000 S
   S93        1.0     0.149473      0.566384      0.946392     Biso  1.000000 S
   S94        1.0     0.848098      0.439496      0.050801     Biso  1.000000 S
   S95        1.0     0.347461      0.423223      0.445617     Biso  1.000000 S
   S96        1.0     0.653948      0.566632      0.554161     Biso  1.000000 S
   Na1        1.0     0.252233      0.443377      0.130037     Biso  1.000000 Na
   Na2        1.0     0.765964      0.535682      0.870794     Biso  1.000000 Na
   Na3        1.0     0.242396      0.556066      0.626850     Biso  1.000000 Na
   Na4        1.0     0.767238      0.460074      0.373135     Biso  1.000000 Na
   Na5        1.0     0.736250      0.962788      0.376342     Biso  1.000000 Na
   Na6        1.0     0.215145      0.987558      0.620109     Biso  1.000000 Na
   Na7        1.0     0.760192      0.033532      0.876282     Biso  1.000000 Na
   Na8        1.0     0.282338      0.014108      0.120698     Biso  1.000000 Na
   Na9        1.0     0.283769      0.500710      0.878326     Biso  1.000000 Na
   Na10       1.0     0.739005      0.529934      0.124301     Biso  1.000000 Na
   Na11       1.0     0.194543      0.493027      0.378075     Biso  1.000000 Na
   Na12       1.0     0.742345      0.440646      0.625581     Biso  1.000000 Na
   Na13       1.0     0.718394      0.013312      0.625980     Biso  1.000000 Na
   Na14       1.0     0.310742      0.994083      0.374705     Biso  1.000000 Na
   Na15       1.0     0.764527      0.038128      0.129935     Biso  1.000000 Na
   Na16       1.0     0.208078      0.001928      0.873309     Biso  1.000000 Na
   Na17       1.0     0.268510      0.261933      0.233019     Biso  1.000000 Na
   Na18       1.0     0.741874      0.743796      0.753333     Biso  1.000000 Na
   Na19       1.0     0.239020      0.748376      0.731043     Biso  1.000000 Na
   Na20       1.0     0.763102      0.248119      0.250384     Biso  1.000000 Na
   Na21       1.0     0.005929      0.982916      0.504058     Biso  1.000000 Na
   Na22       1.0     0.496652      0.995884      0.004659     Biso  1.000000 Na
   Na23       1.0     0.228671      0.250062      0.751079     Biso  1.000000 Na
   Na24       1.0     0.735013      0.750667      0.254461     Biso  1.000000 Na
   Na25       1.0     0.233278      0.758523      0.244635     Biso  1.000000 Na
   Na26       1.0     0.729717      0.253241      0.731224     Biso  1.000000 Na
   Na27       1.0     0.499191      0.987396      0.482755     Biso  1.000000 Na
   Na28       1.0     0.013128      0.019900      0.972375     Biso  1.000000 Na
   Na29       1.0     0.493785      0.495193      0.997826     Biso  1.000000 Na
   Na30       1.0     0.009495      0.479313      0.481481     Biso  1.000000 Na
   Na31       1.0     0.997979      0.519905      0.003233     Biso  1.000000 Na
   Na32       1.0     0.505704      0.494990      0.496804     Biso  1.000000 Na
   Na33       1.0     0.519815      0.240964      0.254570     Biso  1.000000 Na
   Na34       1.0     0.495090      0.754544      0.745138     Biso  1.000000 Na
   Na35       1.0     0.022194      0.233091      0.243369     Biso  1.000000 Na
   Na36       1.0     0.991866      0.231514      0.507092     Biso  1.000000 Na
   Na37       1.0     0.989346      0.732506      0.491867     Biso  1.000000 Na
   Na38       1.0     0.493814      0.745166      0.003963     Biso  1.000000 Na
   Na39       1.0     0.979215      0.241930      0.743428     Biso  1.000000 Na
   Na40       1.0     0.483586      0.742842      0.243031     Biso  1.000000 Na
   Na41       1.0     0.484165      0.242625      0.755891     Biso  1.000000 Na
   Na42       1.0     0.490088      0.753745      0.506886     Biso  1.000000 Na
   Na43       1.0     0.990478      0.776466      0.995519     Biso  1.000000 Na
   Na44       1.0     0.998569      0.261507      0.003707     Biso  1.000000 Na
   Na45       1.0     0.497508      0.241814      0.995394     Biso  1.000000 Na
   Na46       1.0     0.504576      0.237846      0.493341     Biso  1.000000 Na
   Na47       1.0     0.977497      0.728039      0.255663     Biso  1.000000 Na
   Na48       1.0     0.991640      0.759408      0.754491     Biso  1.000000 Na
   Na49       1.0     0.466787      0.491563      0.247498     Biso  1.000000 Na
   Na50       1.0     0.541504      0.502646      0.748843     Biso  1.000000 Na
   Na51       1.0     0.038921      0.505040      0.742202     Biso  1.000000 Na
   Na52       1.0     0.972791      0.475988      0.273944     Biso  1.000000 Na
   Na53       1.0     0.739126      0.220323      0.523321     Biso  1.000000 Na
   Na54       1.0     0.233124      0.777253      0.519637     Biso  1.000000 Na
   Na55       1.0     0.738001      0.793644      0.001377     Biso  1.000000 Na
   Na56       1.0     0.260000      0.213467      0.020109     Biso  1.000000 Na
   Na57       1.0     0.972345      0.012643      0.773188     Biso  1.000000 Na
   Na58       1.0     0.033981      0.978745      0.246856     Biso  1.000000 Na
   Na59       1.0     0.531520      0.985250      0.271904     Biso  1.000000 Na
   Na60       1.0     0.468718      0.993395      0.754807     Biso  1.000000 Na
   Na61       1.0     0.258487      0.711127      0.989480     Biso  1.000000 Na
   Na62       1.0     0.740539      0.293124      0.001963     Biso  1.000000 Na
   Na63       1.0     0.241945      0.278350      0.493761     Biso  1.000000 Na
   Na64       1.0     0.742205      0.718407      0.501022     Biso  1.000000 Na
   Na65       1.0     0.745814      0.279117      0.875035     Biso  1.000000 Na
   Na66       1.0     0.244741      0.274316      0.618612     Biso  1.000000 Na
   Na67       1.0     0.761179      0.715554      0.379961     Biso  1.000000 Na
   Na68       1.0     0.470706      0.993041      0.625710     Biso  1.000000 Na
   Na69       1.0     0.021596      0.009297      0.123436     Biso  1.000000 Na
   Na70       1.0     0.240410      0.755484      0.863016     Biso  1.000000 Na
   Na71       1.0     0.760384      0.285609      0.120122     Biso  1.000000 Na
   Na72       1.0     0.266961      0.246993      0.367127     Biso  1.000000 Na
   Na73       1.0     0.737810      0.732180      0.623248     Biso  1.000000 Na
   Na74       1.0     0.968757      0.006602      0.637896     Biso  1.000000 Na
   Na75       1.0     0.026219      0.984319      0.372113     Biso  1.000000 Na
   Na76       1.0     0.529178      0.001407      0.139017     Biso  1.000000 Na
   Na77       1.0     0.486492      0.009566      0.877031     Biso  1.000000 Na
   Na78       1.0     0.241336      0.751787      0.379491     Biso  1.000000 Na
   Na79       1.0     0.263278      0.242087      0.880933     Biso  1.000000 Na
   Na80       1.0     0.989492      0.494940      0.133213     Biso  1.000000 Na
   Na81       1.0     0.478647      0.490102      0.370710     Biso  1.000000 Na
   Na82       1.0     0.496502      0.511202      0.622404     Biso  1.000000 Na
   Na83       1.0     0.748454      0.213266      0.387189     Biso  1.000000 Na
   Na84       1.0     0.756865      0.784621      0.882956     Biso  1.000000 Na
   Na85       1.0     0.488147      0.513472      0.124531     Biso  1.000000 Na
   Na86       1.0     0.993568      0.487332      0.615072     Biso  1.000000 Na
   Na87       1.0     0.027227      0.507964      0.867749     Biso  1.000000 Na
   Na88       1.0     0.247963      0.724199      0.116977     Biso  1.000000 Na
   Na89       1.0     0.734544      0.782926      0.124013     Biso  1.000000 Na
   Na90       1.0     0.526997      0.498077      0.869293     Biso  1.000000 Na
