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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'na88.03 p8 s96 sn16                   '
_cell_length_a                         13.77240
_cell_length_b                         13.80556
_cell_length_c                         27.47215
_cell_angle_alpha                      89.50253
_cell_angle_beta                       89.31586
_cell_angle_gamma                      90.90071
_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     0.218274      0.505573      0.247897     Biso  1.000000 Sn
   Sn2        1.0     0.785182      0.501799      0.750005     Biso  1.000000 Sn
   Sn3        1.0     0.284477      0.501746      0.747634     Biso  1.000000 Sn
   Sn4        1.0     0.719233      0.505777      0.248246     Biso  1.000000 Sn
   Sn5        1.0     0.751008      0.968486      0.496478     Biso  1.000000 Sn
   Sn6        1.0     0.247837      0.036045      0.498025     Biso  1.000000 Sn
   Sn7        1.0     0.753299      0.035703     -0.000685     Biso  1.000000 Sn
   Sn8        1.0     0.257713      0.969835     -0.002110     Biso  1.000000 Sn
   Sn9        1.0     0.720791      0.006324      0.747811     Biso  1.000000 Sn
   Sn10       1.0     0.282552      0.000923      0.248640     Biso  1.000000 Sn
   Sn11       1.0     0.778751     -0.000616      0.250923     Biso  1.000000 Sn
   Sn12       1.0     0.223220      0.004716      0.748021     Biso  1.000000 Sn
   Sn13       1.0     0.254743      0.472534     -0.002072     Biso  1.000000 Sn
   Sn14       1.0     0.752104      0.535092     -0.002373     Biso  1.000000 Sn
   Sn15       1.0     0.252269      0.536036      0.498560     Biso  1.000000 Sn
   Sn16       1.0     0.753853      0.466770      0.498050     Biso  1.000000 Sn
   P1         1.0     0.503288      0.240686      0.123762     Biso  1.000000 P
   P2         1.0     0.503161      0.752878      0.875745     Biso  1.000000 P
   P3         1.0     0.001762      0.742951      0.624284     Biso  1.000000 P
   P4         1.0     0.000872      0.255231      0.377144     Biso  1.000000 P
   P5         1.0    -0.008875      0.253801      0.874713     Biso  1.000000 P
   P6         1.0     0.000914      0.754333      0.125991     Biso  1.000000 P
   P7         1.0     0.494749      0.752163      0.371991     Biso  1.000000 P
   P8         1.0     0.502857      0.252081      0.626409     Biso  1.000000 P
   S1         1.0     0.408203      0.318674      0.165975     Biso  1.000000 S
   S2         1.0     0.600779      0.669175      0.836928     Biso  1.000000 S
   S3         1.0     0.091690      0.663930      0.668711     Biso  1.000000 S
   S4         1.0     0.904284      0.332297      0.334904     Biso  1.000000 S
   S5         1.0     0.923128      0.164743      0.423346     Biso  1.000000 S
   S6         1.0     0.088088      0.830262      0.579131     Biso  1.000000 S
   S7         1.0     0.581353      0.850462      0.917418     Biso  1.000000 S
   S8         1.0     0.424366      0.144874      0.081498     Biso  1.000000 S
   S9         1.0     0.078736      0.337636      0.828447     Biso  1.000000 S
   S10        1.0     0.907814      0.675100      0.170663     Biso  1.000000 S
   S11        1.0     0.395026      0.671023      0.332919     Biso  1.000000 S
   S12        1.0     0.600675      0.330146      0.668136     Biso  1.000000 S
   S13        1.0     0.579651      0.160595      0.582006     Biso  1.000000 S
   S14        1.0     0.421233      0.846440      0.416753     Biso  1.000000 S
   S15        1.0     0.918829      0.851195      0.086324     Biso  1.000000 S
   S16        1.0     0.070982      0.158870      0.915802     Biso  1.000000 S
   S17        1.0     0.908859      0.822939      0.666660     Biso  1.000000 S
   S18        1.0     0.094785      0.172119      0.336179     Biso  1.000000 S
   S19        1.0     0.595330      0.164626      0.168202     Biso  1.000000 S
   S20        1.0     0.411314      0.829523      0.831465     Biso  1.000000 S
   S21        1.0     0.421000      0.661959      0.919762     Biso  1.000000 S
   S22        1.0     0.586657      0.329595      0.077873     Biso  1.000000 S
   S23        1.0     0.081389      0.353352      0.417364     Biso  1.000000 S
   S24        1.0     0.920316      0.650016      0.581365     Biso  1.000000 S
   S25        1.0     0.582591      0.828799      0.322906     Biso  1.000000 S
   S26        1.0     0.411881      0.170273      0.670633     Biso  1.000000 S
   S27        1.0     0.894600      0.175588      0.832566     Biso  1.000000 S
   S28        1.0     0.099856      0.831496      0.167208     Biso  1.000000 S
   S29        1.0     0.077461      0.659966      0.082719     Biso  1.000000 S
   S30        1.0     0.915657      0.344665      0.920465     Biso  1.000000 S
   S31        1.0     0.418745      0.349274      0.587670     Biso  1.000000 S
   S32        1.0     0.581538      0.663070      0.413111     Biso  1.000000 S
   S33        1.0     0.121957      0.404045      0.195768     Biso  1.000000 S
   S34        1.0     0.884422      0.604664      0.801013     Biso  1.000000 S
   S35        1.0     0.383838      0.605747      0.695547     Biso  1.000000 S
   S36        1.0     0.612180      0.403664      0.297594     Biso  1.000000 S
   S37        1.0     0.861875      0.865216      0.451965     Biso  1.000000 S
   S38        1.0     0.149173      0.135546      0.550786     Biso  1.000000 S
   S39        1.0     0.646676      0.133270      0.949601     Biso  1.000000 S
   S40        1.0     0.356266      0.867881      0.049730     Biso  1.000000 S
   S41        1.0     0.384617      0.401767      0.799004     Biso  1.000000 S
   S42        1.0     0.625006      0.612782      0.197931     Biso  1.000000 S
   S43        1.0     0.116235      0.605752      0.299488     Biso  1.000000 S
   S44        1.0     0.883220      0.396384      0.699635     Biso  1.000000 S
   S45        1.0     0.653505      0.863690      0.550579     Biso  1.000000 S
   S46        1.0     0.349578      0.136619      0.446042     Biso  1.000000 S
   S47        1.0     0.854770      0.135339      0.050955     Biso  1.000000 S
   S48        1.0     0.155479      0.874448      0.945550     Biso  1.000000 S
   S49        1.0     0.626132      0.903223      0.695452     Biso  1.000000 S
   S50        1.0     0.382861      0.101378      0.299911     Biso  1.000000 S
   S51        1.0     0.882310      0.101320      0.198952     Biso  1.000000 S
   S52        1.0     0.115065      0.904377      0.798184     Biso  1.000000 S
   S53        1.0     0.365107      0.376490      0.949928     Biso  1.000000 S
   S54        1.0     0.651078      0.635973      0.048260     Biso  1.000000 S
   S55        1.0     0.146288      0.634088      0.448502     Biso  1.000000 S
   S56        1.0     0.856550      0.369214      0.550258     Biso  1.000000 S
   S57        1.0     0.878383      0.893621      0.299707     Biso  1.000000 S
   S58        1.0     0.127019      0.115112      0.700537     Biso  1.000000 S
   S59        1.0     0.617613      0.104796      0.799399     Biso  1.000000 S
   S60        1.0     0.380147      0.893657      0.198616     Biso  1.000000 S
   S61        1.0     0.154566      0.364512      0.048180     Biso  1.000000 S
   S62        1.0     0.856874      0.633785      0.945563     Biso  1.000000 S
   S63        1.0     0.355462      0.635328      0.549366     Biso  1.000000 S
   S64        1.0     0.651115      0.369289      0.447293     Biso  1.000000 S
   S65        1.0     0.318237      0.403918      0.299198     Biso  1.000000 S
   S66        1.0     0.683644      0.595953      0.696598     Biso  1.000000 S
   S67        1.0     0.183654      0.598993      0.800919     Biso  1.000000 S
   S68        1.0     0.816526      0.407588      0.193994     Biso  1.000000 S
   S69        1.0     0.841879      0.078746      0.547977     Biso  1.000000 S
   S70        1.0     0.146220      0.928744      0.449344     Biso  1.000000 S
   S71        1.0     0.659133      0.926108      0.051871     Biso  1.000000 S
   S72        1.0     0.357476      0.078264      0.948022     Biso  1.000000 S
   S73        1.0     0.178588      0.399832      0.698871     Biso  1.000000 S
   S74        1.0     0.826701      0.597036      0.301283     Biso  1.000000 S
   S75        1.0     0.327164      0.605060      0.198005     Biso  1.000000 S
   S76        1.0     0.676189      0.407291      0.802677     Biso  1.000000 S
   S77        1.0     0.651431      0.066784      0.445574     Biso  1.000000 S
   S78        1.0     0.346918      0.935916      0.550589     Biso  1.000000 S
   S79        1.0     0.847680      0.935735      0.944916     Biso  1.000000 S
   S80        1.0     0.154503      0.069639      0.049194     Biso  1.000000 S
   S81        1.0     0.820800      0.904651      0.799423     Biso  1.000000 S
   S82        1.0     0.181324      0.095554      0.195240     Biso  1.000000 S
   S83        1.0     0.674942      0.104146      0.298070     Biso  1.000000 S
   S84        1.0     0.316249      0.904890      0.692726     Biso  1.000000 S
   S85        1.0     0.342832      0.582799      0.049679     Biso  1.000000 S
   S86        1.0     0.649756      0.428931      0.949208     Biso  1.000000 S
   S87        1.0     0.156777      0.428152      0.551458     Biso  1.000000 S
   S88        1.0     0.852094      0.575632      0.446924     Biso  1.000000 S
   S89        1.0     0.675964      0.902151      0.197254     Biso  1.000000 S
   S90        1.0     0.333451      0.093304      0.799567     Biso  1.000000 S
   S91        1.0     0.828840      0.106961      0.698138     Biso  1.000000 S
   S92        1.0     0.174106      0.905965      0.301751     Biso  1.000000 S
   S93        1.0     0.155484      0.565912      0.942832     Biso  1.000000 S
   S94        1.0     0.848040      0.435051      0.051565     Biso  1.000000 S
   S95        1.0     0.347225      0.435361      0.445021     Biso  1.000000 S
   S96        1.0     0.653093      0.566301      0.550921     Biso  1.000000 S
   Na1        1.0     0.267954      0.466582      0.125313     Biso  1.000000 Na
   Na2        1.0     0.753245      0.529118      0.874122     Biso  1.000000 Na
   Na3        1.0     0.279001      0.503537      0.623321     Biso  1.000000 Na
   Na4        1.0     0.733678      0.482898      0.373264     Biso  1.000000 Na
   Na5        1.0     0.194809     -0.004861      0.621888     Biso  1.000000 Na
   Na6        1.0     0.728400      0.019479      0.873467     Biso  1.000000 Na
   Na7        1.0     0.267594      0.978137      0.123402     Biso  1.000000 Na
   Na8        1.0     0.244422      0.443582      0.871546     Biso  1.000000 Na
   Na9        1.0     0.694991      0.495804      0.121053     Biso  1.000000 Na
   Na10       1.0     0.232700      0.521543      0.372736     Biso  1.000000 Na
   Na11       1.0     0.768209      0.478894      0.624199     Biso  1.000000 Na
   Na12       1.0     0.767351      0.970433      0.624530     Biso  1.000000 Na
   Na13       1.0     0.255923      0.026217      0.373860     Biso  1.000000 Na
   Na14       1.0     0.776739      0.008383      0.125018     Biso  1.000000 Na
   Na15       1.0     0.218378      0.018258      0.875321     Biso  1.000000 Na
   Na16       1.0     0.208347      0.255471      0.253752     Biso  1.000000 Na
   Na17       1.0     0.709252      0.756634      0.755082     Biso  1.000000 Na
   Na18       1.0     0.292460      0.749449      0.755301     Biso  1.000000 Na
   Na19       1.0     0.795093      0.248703      0.255614     Biso  1.000000 Na
   Na20       1.0     0.005098     -0.012808      0.519779     Biso  1.000000 Na
   Na21       1.0     0.505508     -0.007805     -0.001457     Biso  1.000000 Na
   Na22       1.0     0.235937      0.255515      0.768006     Biso  1.000000 Na
   Na23       1.0     0.746648      0.751078      0.250783     Biso  1.000000 Na
   Na24       1.0     0.245361      0.753119      0.249943     Biso  1.000000 Na
   Na25       1.0     0.740622      0.254527      0.748021     Biso  1.000000 Na
   Na26       1.0     0.494072      0.048928      0.504494     Biso  1.000000 Na
   Na27       1.0     0.007663     -0.040009      0.003535     Biso  1.000000 Na
   Na28       1.0     0.505350      0.485531      0.018398     Biso  1.000000 Na
   Na29       1.0     0.002545      0.494942      0.498380     Biso  1.000000 Na
   Na30       1.0    -0.000151      0.541151      0.005700     Biso  1.000000 Na
   Na31       1.0     0.504883      0.459093      0.504923     Biso  1.000000 Na
   Na32       1.0     0.510588      0.240964      0.254403     Biso  1.000000 Na
   Na33       1.0     0.006150      0.746885      0.754307     Biso  1.000000 Na
   Na34       1.0     0.001281      0.245835      0.506700     Biso  1.000000 Na
   Na35       1.0    -0.000344      0.744434      0.494307     Biso  1.000000 Na
   Na36       1.0     0.495780      0.740701      0.004908     Biso  1.000000 Na
   Na37       1.0     0.488150      0.237296      0.993206     Biso  1.000000 Na
   Na38       1.0    -0.012744      0.238323      0.743573     Biso  1.000000 Na
   Na39       1.0    -0.001682      0.753247      0.254273     Biso  1.000000 Na
   Na40       1.0     0.486954      0.734573      0.242315     Biso  1.000000 Na
   Na41       1.0    -0.002093      0.254722      0.004516     Biso  1.000000 Na
   Na42       1.0     0.503685      0.755182      0.501719     Biso  1.000000 Na
   Na43       1.0     0.490643      0.246562      0.755578     Biso  1.000000 Na
   Na44       1.0     0.470098      0.479280      0.229404     Biso  1.000000 Na
   Na45       1.0     0.532194      0.536847      0.760890     Biso  1.000000 Na
   Na46       1.0     0.034462      0.495711      0.752646     Biso  1.000000 Na
   Na47       1.0     0.968941      0.466734      0.256257     Biso  1.000000 Na
   Na48       1.0     0.718933      0.217435      0.504373     Biso  1.000000 Na
   Na49       1.0     0.249861      0.786435      0.501606     Biso  1.000000 Na
   Na50       1.0     0.787650      0.783664      0.008393     Biso  1.000000 Na
   Na51       1.0     0.232818      0.222689     -0.020919     Biso  1.000000 Na
   Na52       1.0     0.973793     -0.017180      0.728929     Biso  1.000000 Na
   Na53       1.0     0.029877      0.032897      0.261715     Biso  1.000000 Na
   Na54       1.0     0.530428     -0.007031      0.250954     Biso  1.000000 Na
   Na55       1.0     0.471418     -0.034119      0.753925     Biso  1.000000 Na
   Na56       1.0     0.214930      0.720421      0.004679     Biso  1.000000 Na
   Na57       1.0     0.745335      0.284982      0.003251     Biso  1.000000 Na
   Na58       1.0     0.285972      0.283785      0.510112     Biso  1.000000 Na
   Na59       1.0     0.750243      0.716738      0.498004     Biso  1.000000 Na
   Na60       1.0     0.261561      0.724123      0.121863     Biso  1.000000 Na
   Na61       1.0     0.736481      0.275459      0.878969     Biso  1.000000 Na
   Na62       1.0     0.237793      0.246196      0.634287     Biso  1.000000 Na
   Na63       1.0     0.534376      0.005140      0.370772     Biso  1.000000 Na
   Na64       1.0     0.477825      0.993660      0.630079     Biso  1.000000 Na
   Na65       1.0     0.972978      0.995503      0.863896     Biso  1.000000 Na
   Na66       1.0     0.023995      0.012597      0.133670     Biso  1.000000 Na
   Na67       1.0     0.244231      0.727638      0.880955     Biso  1.000000 Na
   Na68       1.0     0.764886      0.257713      0.126525     Biso  1.000000 Na
   Na69       1.0     0.259673      0.275117      0.381603     Biso  1.000000 Na
   Na70       1.0     0.740646      0.729343      0.621808     Biso  1.000000 Na
   Na71       1.0    -0.022567      0.984067      0.385807     Biso  1.000000 Na
   Na72       1.0     0.523498      0.985371      0.127690     Biso  1.000000 Na
   Na73       1.0     0.474174      0.011561      0.871121     Biso  1.000000 Na
   Na74       1.0     0.763040      0.223863      0.620642     Biso  1.000000 Na
   Na75       1.0     0.237571      0.776923      0.378546     Biso  1.000000 Na
   Na76       1.0     0.735423      0.752536      0.128045     Biso  1.000000 Na
   Na77       1.0     0.004322      0.515091      0.876638     Biso  1.000000 Na
   Na78       1.0     0.976603      0.496736      0.132552     Biso  1.000000 Na
   Na79       1.0     0.479926      0.495904      0.366289     Biso  1.000000 Na
   Na80       1.0     0.525564      0.509983      0.633658     Biso  1.000000 Na
   Na81       1.0     0.744715      0.204374      0.381438     Biso  1.000000 Na
   Na82       1.0     0.264553      0.754134      0.626009     Biso  1.000000 Na
   Na83       1.0     0.762900      0.775944      0.882239     Biso  1.000000 Na
   Na84       1.0     0.243982      0.221771      0.114656     Biso  1.000000 Na
   Na85       1.0     0.496723      0.487125      0.884045     Biso  1.000000 Na
   Na86       1.0     0.022075      0.486740      0.627202     Biso  1.000000 Na
   Na87       1.0     0.981156      0.514759      0.372630     Biso  1.000000 Na
   Na88       1.0     0.760199      0.771818      0.372082     Biso  1.000000 Na
