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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'na88.03 p8 s96 sn16                   '
_cell_length_a                         13.81730
_cell_length_b                         13.81713
_cell_length_c                         27.29102
_cell_angle_alpha                      89.99973
_cell_angle_beta                       89.99986
_cell_angle_gamma                      90.01061
_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     0.222955      0.508335      0.250308     Biso  1.000000 Sn
   Sn2        1.0     0.779745      0.497640      0.748068     Biso  1.000000 Sn
   Sn3        1.0     0.277050      0.491662      0.750305     Biso  1.000000 Sn
   Sn4        1.0     0.720256      0.502360      0.248068     Biso  1.000000 Sn
   Sn5        1.0     0.755096      0.971319      0.502283     Biso  1.000000 Sn
   Sn6        1.0     0.252483      0.029836      0.498128     Biso  1.000000 Sn
   Sn7        1.0     0.744904      0.028683      0.002283     Biso  1.000000 Sn
   Sn8        1.0     0.247517      0.970165      0.998129     Biso  1.000000 Sn
   Sn9        1.0     0.721429      0.995038      0.752269     Biso  1.000000 Sn
   Sn10       1.0     0.275779      0.006427      0.250021     Biso  1.000000 Sn
   Sn11       1.0     0.778572      0.004957      0.252270     Biso  1.000000 Sn
   Sn12       1.0     0.224227      0.993577      0.750021     Biso  1.000000 Sn
   Sn13       1.0     0.241946      0.473119      0.000329     Biso  1.000000 Sn
   Sn14       1.0     0.743769      0.525802     -0.000014     Biso  1.000000 Sn
   Sn15       1.0     0.258049      0.526882      0.500327     Biso  1.000000 Sn
   Sn16       1.0     0.756227      0.474196      0.499987     Biso  1.000000 Sn
   P1         1.0     0.510337      0.252602      0.124587     Biso  1.000000 P
   P2         1.0     0.497551      0.760391      0.874481     Biso  1.000000 P
   P3         1.0     0.989664      0.747398      0.624588     Biso  1.000000 P
   P4         1.0     0.002448      0.239608      0.374482     Biso  1.000000 P
   P5         1.0     0.997379      0.249850      0.874986     Biso  1.000000 P
   P6         1.0     1.000022      0.752755      0.124954     Biso  1.000000 P
   P7         1.0     0.502620      0.750148      0.374986     Biso  1.000000 P
   P8         1.0     0.499978      0.247245      0.624954     Biso  1.000000 P
   S1         1.0     0.422700      0.338767      0.168286     Biso  1.000000 S
   S2         1.0     0.592034      0.678211      0.832621     Biso  1.000000 S
   S3         1.0     0.077304      0.661236      0.668287     Biso  1.000000 S
   S4         1.0     0.907967      0.321788      0.332622     Biso  1.000000 S
   S5         1.0     0.924808      0.147430      0.418790     Biso  1.000000 S
   S6         1.0     0.071934      0.841845      0.582730     Biso  1.000000 S
   S7         1.0     0.575191      0.852571      0.918788     Biso  1.000000 S
   S8         1.0     0.428067      0.158155      0.082730     Biso  1.000000 S
   S9         1.0     0.086849      0.326886      0.828433     Biso  1.000000 S
   S10        1.0     0.913089      0.667614      0.168723     Biso  1.000000 S
   S11        1.0     0.413148      0.673112      0.328435     Biso  1.000000 S
   S12        1.0     0.586910      0.332385      0.668723     Biso  1.000000 S
   S13        1.0     0.577531      0.150322      0.582981     Biso  1.000000 S
   S14        1.0     0.417547      0.837121      0.418749     Biso  1.000000 S
   S15        1.0     0.922470      0.849679      0.082981     Biso  1.000000 S
   S16        1.0     0.082451      0.162877      0.918750     Biso  1.000000 S
   S17        1.0     0.897526      0.825101      0.668877     Biso  1.000000 S
   S18        1.0     0.090735      0.161035      0.328725     Biso  1.000000 S
   S19        1.0     0.602472      0.174896      0.168876     Biso  1.000000 S
   S20        1.0     0.409265      0.838962      0.828722     Biso  1.000000 S
   S21        1.0     0.411413      0.672702      0.918192     Biso  1.000000 S
   S22        1.0     0.589040      0.340857      0.078851     Biso  1.000000 S
   S23        1.0     0.088587      0.327298      0.418192     Biso  1.000000 S
   S24        1.0     0.910960      0.659144      0.578852     Biso  1.000000 S
   S25        1.0     0.599598      0.827652      0.333008     Biso  1.000000 S
   S26        1.0     0.405885      0.170815      0.669679     Biso  1.000000 S
   S27        1.0     0.900401      0.172346      0.833008     Biso  1.000000 S
   S28        1.0     0.094114      0.829183      0.169679     Biso  1.000000 S
   S29        1.0     0.077014      0.663312      0.078383     Biso  1.000000 S
   S30        1.0     0.920985      0.343937      0.919717     Biso  1.000000 S
   S31        1.0     0.422984      0.336688      0.578383     Biso  1.000000 S
   S32        1.0     0.579015      0.656062      0.419717     Biso  1.000000 S
   S33        1.0     0.120003      0.401709      0.202804     Biso  1.000000 S
   S34        1.0     0.875773      0.601832      0.800756     Biso  1.000000 S
   S35        1.0     0.380001      0.598292      0.702801     Biso  1.000000 S
   S36        1.0     0.624226      0.398167      0.300756     Biso  1.000000 S
   S37        1.0     0.852417      0.868262      0.449112     Biso  1.000000 S
   S38        1.0     0.148174      0.125821      0.550761     Biso  1.000000 S
   S39        1.0     0.647582      0.131739      0.949112     Biso  1.000000 S
   S40        1.0     0.351828      0.874178      0.050761     Biso  1.000000 S
   S41        1.0     0.371285      0.385917      0.801855     Biso  1.000000 S
   S42        1.0     0.618089      0.603014      0.197097     Biso  1.000000 S
   S43        1.0     0.128716      0.614081      0.301855     Biso  1.000000 S
   S44        1.0     0.881912      0.396987      0.697096     Biso  1.000000 S
   S45        1.0     0.645482      0.871583      0.550666     Biso  1.000000 S
   S46        1.0     0.353021      0.132035      0.447095     Biso  1.000000 S
   S47        1.0     0.854518      0.128416      0.050667     Biso  1.000000 S
   S48        1.0     0.146980      0.867967      0.947096     Biso  1.000000 S
   S49        1.0     0.618338      0.897782      0.699051     Biso  1.000000 S
   S50        1.0     0.374284      0.116344      0.297772     Biso  1.000000 S
   S51        1.0     0.881664      0.102216      0.199053     Biso  1.000000 S
   S52        1.0     0.125719      0.883659      0.797772     Biso  1.000000 S
   S53        1.0     0.348390      0.370005      0.952843     Biso  1.000000 S
   S54        1.0     0.633816      0.624249      0.047722     Biso  1.000000 S
   S55        1.0     0.151607      0.629998      0.452841     Biso  1.000000 S
   S56        1.0     0.866185      0.375753      0.547723     Biso  1.000000 S
   S57        1.0     0.878361      0.895395      0.300648     Biso  1.000000 S
   S58        1.0     0.118260      0.096711      0.701670     Biso  1.000000 S
   S59        1.0     0.621641      0.104601      0.800647     Biso  1.000000 S
   S60        1.0     0.381744      0.903291      0.201670     Biso  1.000000 S
   S61        1.0     0.136075      0.378869      0.051848     Biso  1.000000 S
   S62        1.0     0.846832      0.631820      0.951622     Biso  1.000000 S
   S63        1.0     0.363919      0.621133      0.551845     Biso  1.000000 S
   S64        1.0     0.653167      0.368178      0.451623     Biso  1.000000 S
   S65        1.0     0.323452      0.404919      0.301404     Biso  1.000000 S
   S66        1.0     0.670462      0.592233      0.697542     Biso  1.000000 S
   S67        1.0     0.176554      0.595078      0.801401     Biso  1.000000 S
   S68        1.0     0.829538      0.407769      0.197542     Biso  1.000000 S
   S69        1.0     0.857019      0.068995      0.554915     Biso  1.000000 S
   S70        1.0     0.157867      0.920590      0.447576     Biso  1.000000 S
   S71        1.0     0.642980      0.931005      0.054914     Biso  1.000000 S
   S72        1.0     0.342132      0.079411      0.947576     Biso  1.000000 S
   S73        1.0     0.173903      0.401475      0.694706     Biso  1.000000 S
   S74        1.0     0.822760      0.603268      0.298491     Biso  1.000000 S
   S75        1.0     0.326098      0.598525      0.194707     Biso  1.000000 S
   S76        1.0     0.677240      0.396728      0.798489     Biso  1.000000 S
   S77        1.0     0.660165      0.081279      0.453151     Biso  1.000000 S
   S78        1.0     0.353326      0.927305      0.548554     Biso  1.000000 S
   S79        1.0     0.839835      0.918722      0.953151     Biso  1.000000 S
   S80        1.0     0.146674      0.072695      0.048555     Biso  1.000000 S
   S81        1.0     0.819010      0.893082      0.804907     Biso  1.000000 S
   S82        1.0     0.170167      0.098147      0.196838     Biso  1.000000 S
   S83        1.0     0.680991      0.106917      0.304907     Biso  1.000000 S
   S84        1.0     0.329835      0.901855      0.696838     Biso  1.000000 S
   S85        1.0     0.345403      0.573657      0.051378     Biso  1.000000 S
   S86        1.0     0.652008      0.420154      0.946815     Biso  1.000000 S
   S87        1.0     0.154594      0.426343      0.551377     Biso  1.000000 S
   S88        1.0     0.847988      0.579845      0.446816     Biso  1.000000 S
   S89        1.0     0.668605      0.909995      0.203132     Biso  1.000000 S
   S90        1.0     0.318543      0.096365      0.804603     Biso  1.000000 S
   S91        1.0     0.831397      0.090005      0.703132     Biso  1.000000 S
   S92        1.0     0.181462      0.903638      0.304602     Biso  1.000000 S
   S93        1.0     0.151635      0.576074      0.944703     Biso  1.000000 S
   S94        1.0     0.846503      0.431465      0.054576     Biso  1.000000 S
   S95        1.0     0.348363      0.423927      0.444702     Biso  1.000000 S
   S96        1.0     0.653492      0.568533      0.554576     Biso  1.000000 S
   Na1        1.0     0.259163      0.448360      0.126914     Biso  1.000000 Na
   Na2        1.0     0.733223      0.533227      0.872232     Biso  1.000000 Na
   Na3        1.0     0.240836      0.551638      0.626913     Biso  1.000000 Na
   Na4        1.0     0.766774      0.466771      0.372233     Biso  1.000000 Na
   Na5        1.0     0.736972      0.969068      0.375814     Biso  1.000000 Na
   Na6        1.0     0.216867      0.983326      0.622291     Biso  1.000000 Na
   Na7        1.0     0.763025      0.030930      0.875813     Biso  1.000000 Na
   Na8        1.0     0.283133      0.016671      0.122292     Biso  1.000000 Na
   Na9        1.0     0.301683      0.509046      0.876902     Biso  1.000000 Na
   Na10       1.0     0.757382      0.555491      0.125417     Biso  1.000000 Na
   Na11       1.0     0.198315      0.490954      0.376902     Biso  1.000000 Na
   Na12       1.0     0.742618      0.444513      0.625418     Biso  1.000000 Na
   Na13       1.0     0.719111      0.013191      0.625798     Biso  1.000000 Na
   Na14       1.0     0.305501      0.992719      0.375445     Biso  1.000000 Na
   Na15       1.0     0.780889      0.986814      0.125799     Biso  1.000000 Na
   Na16       1.0     0.194497      0.007282      0.875446     Biso  1.000000 Na
   Na17       1.0     0.270957      0.259500      0.230354     Biso  1.000000 Na
   Na18       1.0     0.731454      0.744600      0.755293     Biso  1.000000 Na
   Na19       1.0     0.229047      0.740501      0.730355     Biso  1.000000 Na
   Na20       1.0     0.768552      0.255399      0.255293     Biso  1.000000 Na
   Na21       1.0     0.005528      0.981310      0.505384     Biso  1.000000 Na
   Na22       1.0     0.494472      0.018695      0.005385     Biso  1.000000 Na
   Na23       1.0     0.243586      0.245115      0.748874     Biso  1.000000 Na
   Na24       1.0     0.762832      0.748038      0.232326     Biso  1.000000 Na
   Na25       1.0     0.256413      0.754885      0.248872     Biso  1.000000 Na
   Na26       1.0     0.737168      0.251962      0.732323     Biso  1.000000 Na
   Na27       1.0     0.498101      0.987233      0.482366     Biso  1.000000 Na
   Na28       1.0     0.001897      0.012767      0.982369     Biso  1.000000 Na
   Na29       1.0     0.490697      0.521038      0.980283     Biso  1.000000 Na
   Na30       1.0     0.009299      0.478962      0.480281     Biso  1.000000 Na
   Na31       1.0     0.995298      0.506435      0.998880     Biso  1.000000 Na
   Na32       1.0     0.504698      0.493568      0.498880     Biso  1.000000 Na
   Na33       1.0     0.519248      0.240644      0.257117     Biso  1.000000 Na
   Na34       1.0     0.482277      0.761261      0.741116     Biso  1.000000 Na
   Na35       1.0     0.017729      0.238736      0.241118     Biso  1.000000 Na
   Na36       1.0     0.990568      0.230702      0.507063     Biso  1.000000 Na
   Na37       1.0     0.988661      0.732099      0.491229     Biso  1.000000 Na
   Na38       1.0     0.509435      0.769304      0.007062     Biso  1.000000 Na
   Na39       1.0     0.989069      0.247277      0.743262     Biso  1.000000 Na
   Na40       1.0     0.510930      0.752722      0.243262     Biso  1.000000 Na
   Na41       1.0     0.501278      0.258439      0.756616     Biso  1.000000 Na
   Na42       1.0     0.491439      0.751300      0.506649     Biso  1.000000 Na
   Na43       1.0     0.997293      0.760919      0.993246     Biso  1.000000 Na
   Na44       1.0     0.008558      0.248702      0.006649     Biso  1.000000 Na
   Na45       1.0     0.511336      0.267903      0.991228     Biso  1.000000 Na
   Na46       1.0     0.502708      0.239080      0.493246     Biso  1.000000 Na
   Na47       1.0     0.998723      0.741560      0.256616     Biso  1.000000 Na
   Na48       1.0     0.980757      0.759355      0.757118     Biso  1.000000 Na
   Na49       1.0     0.471726      0.491229      0.243417     Biso  1.000000 Na
   Na50       1.0     0.525911      0.516634      0.769209     Biso  1.000000 Na
   Na51       1.0     0.028275      0.508772      0.743417     Biso  1.000000 Na
   Na52       1.0     0.974091      0.483365      0.269209     Biso  1.000000 Na
   Na53       1.0     0.737589      0.222287      0.523708     Biso  1.000000 Na
   Na54       1.0     0.233402      0.775913      0.519217     Biso  1.000000 Na
   Na55       1.0     0.762413      0.777713      0.023708     Biso  1.000000 Na
   Na56       1.0     0.266596      0.224087      0.019219     Biso  1.000000 Na
   Na57       1.0     0.972376      0.012386      0.773697     Biso  1.000000 Na
   Na58       1.0     0.029383      0.991608      0.249297     Biso  1.000000 Na
   Na59       1.0     0.527627      0.987613      0.273697     Biso  1.000000 Na
   Na60       1.0     0.470620      0.008391      0.749296     Biso  1.000000 Na
   Na61       1.0     0.258847      0.721748      0.993389     Biso  1.000000 Na
   Na62       1.0     0.758544      0.279420      0.999238     Biso  1.000000 Na
   Na63       1.0     0.241156      0.278253      0.493390     Biso  1.000000 Na
   Na64       1.0     0.741451      0.720580      0.499238     Biso  1.000000 Na
   Na65       1.0     0.739500      0.277873      0.874773     Biso  1.000000 Na
   Na66       1.0     0.243391      0.270736      0.619064     Biso  1.000000 Na
   Na67       1.0     0.760500      0.722125      0.374774     Biso  1.000000 Na
   Na68       1.0     0.472209      0.989409      0.624838     Biso  1.000000 Na
   Na69       1.0     0.027791      0.010592      0.124839     Biso  1.000000 Na
   Na70       1.0     0.235222      0.754718      0.865833     Biso  1.000000 Na
   Na71       1.0     0.765736      0.270911      0.123788     Biso  1.000000 Na
   Na72       1.0     0.264777      0.245283      0.365833     Biso  1.000000 Na
   Na73       1.0     0.734261      0.729096      0.623790     Biso  1.000000 Na
   Na74       1.0     0.970444      0.005066      0.637420     Biso  1.000000 Na
   Na75       1.0     0.020991      0.984238      0.373806     Biso  1.000000 Na
   Na76       1.0     0.529557      0.994932      0.137419     Biso  1.000000 Na
   Na77       1.0     0.479002      0.015761      0.873804     Biso  1.000000 Na
   Na78       1.0     0.241574      0.750467      0.379595     Biso  1.000000 Na
   Na79       1.0     0.258424      0.249532      0.879597     Biso  1.000000 Na
   Na80       1.0     0.999666      0.491667      0.129560     Biso  1.000000 Na
   Na81       1.0     0.479170      0.493525      0.369078     Biso  1.000000 Na
   Na82       1.0     0.500334      0.508333      0.629559     Biso  1.000000 Na
   Na83       1.0     0.744878      0.220374      0.387398     Biso  1.000000 Na
   Na84       1.0     0.755122      0.779626      0.887398     Biso  1.000000 Na
   Na85       1.0     0.504825      0.514914      0.115848     Biso  1.000000 Na
   Na86       1.0     0.995175      0.485088      0.615848     Biso  1.000000 Na
   Na87       1.0     0.020834      0.506474      0.869079     Biso  1.000000 Na
   Na88       1.0     0.256608      0.729261      0.119062     Biso  1.000000 Na
