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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'na88.03 p8 s96 sn16                   '
_cell_length_a                         13.78678
_cell_length_b                         13.78678
_cell_length_c                         27.49046
_cell_angle_alpha                      89.29718
_cell_angle_beta                       89.29718
_cell_angle_gamma                      90.78162
_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     0.212051      0.490328      0.246369     Biso  1.000000 Sn
   Sn2        1.0     0.790776      0.508961      0.753802     Biso  1.000000 Sn
   Sn3        1.0     0.277178      0.508275      0.746358     Biso  1.000000 Sn
   Sn4        1.0     0.714486      0.493100      0.251101     Biso  1.000000 Sn
   Sn5        1.0     0.742881      0.990981      0.496803     Biso  1.000000 Sn
   Sn6        1.0     0.242258      0.034189      0.499318     Biso  1.000000 Sn
   Sn7        1.0     0.755853      0.023154      0.998222     Biso  1.000000 Sn
   Sn8        1.0     0.254941      0.984009      0.993173     Biso  1.000000 Sn
   Sn9        1.0     0.738610      0.013970      0.754793     Biso  1.000000 Sn
   Sn10       1.0     0.263256      0.976131      0.241740     Biso  1.000000 Sn
   Sn11       1.0     0.762403      0.993637      0.248966     Biso  1.000000 Sn
   Sn12       1.0     0.248152      0.009144      0.745238     Biso  1.000000 Sn
   Sn13       1.0     0.241830      0.471683      0.999310     Biso  1.000000 Sn
   Sn14       1.0     0.742938      0.533536      0.997864     Biso  1.000000 Sn
   Sn15       1.0     0.253420      0.534125      0.502832     Biso  1.000000 Sn
   Sn16       1.0     0.760752      0.472649      0.506286     Biso  1.000000 Sn
   P1         1.0     0.498389      0.251054      0.130483     Biso  1.000000 P
   P2         1.0     0.509953      0.760849      0.873247     Biso  1.000000 P
   P3         1.0     0.021353      0.750446      0.623734     Biso  1.000000 P
   P4         1.0     0.997799      0.257174      0.374838     Biso  1.000000 P
   P5         1.0     0.011712      0.263497      0.868971     Biso  1.000000 P
   P6         1.0     0.984219      0.737430      0.124160     Biso  1.000000 P
   P7         1.0     0.468352      0.756865      0.370161     Biso  1.000000 P
   P8         1.0     0.515293      0.252768      0.626728     Biso  1.000000 P
   S1         1.0     0.398820      0.334209      0.168797     Biso  1.000000 S
   S2         1.0     0.606742      0.673684      0.833852     Biso  1.000000 S
   S3         1.0     0.100827      0.668878      0.671526     Biso  1.000000 S
   S4         1.0     0.887825      0.317479      0.331230     Biso  1.000000 S
   S5         1.0     0.931901      0.166637      0.422883     Biso  1.000000 S
   S6         1.0     0.112199      0.845043      0.589376     Biso  1.000000 S
   S7         1.0     0.590432      0.844168      0.922252     Biso  1.000000 S
   S8         1.0     0.428423      0.161921      0.081580     Biso  1.000000 S
   S9         1.0     0.093272      0.333131      0.818419     Biso  1.000000 S
   S10        1.0     0.905835      0.650074      0.173219     Biso  1.000000 S
   S11        1.0     0.374357      0.671907      0.330176     Biso  1.000000 S
   S12        1.0     0.612520      0.332251      0.671393     Biso  1.000000 S
   S13        1.0     0.591823      0.169479      0.579788     Biso  1.000000 S
   S14        1.0     0.381574      0.854551      0.411134     Biso  1.000000 S
   S15        1.0     0.897103      0.829106      0.082276     Biso  1.000000 S
   S16        1.0     0.096984      0.178283      0.908724     Biso  1.000000 S
   S17        1.0     0.917283      0.826395      0.666287     Biso  1.000000 S
   S18        1.0     0.091197      0.170447      0.334970     Biso  1.000000 S
   S19        1.0     0.583985      0.165636      0.175035     Biso  1.000000 S
   S20        1.0     0.447178      0.855505      0.827881     Biso  1.000000 S
   S21        1.0     0.408290      0.678251      0.908388     Biso  1.000000 S
   S22        1.0     0.587778      0.342864      0.088948     Biso  1.000000 S
   S23        1.0     0.078616      0.362573      0.408179     Biso  1.000000 S
   S24        1.0     0.935678      0.674076      0.577103     Biso  1.000000 S
   S25        1.0     0.548061      0.843799      0.322132     Biso  1.000000 S
   S26        1.0     0.422755      0.168206      0.667241     Biso  1.000000 S
   S27        1.0     0.911875      0.172438      0.836106     Biso  1.000000 S
   S28        1.0     0.086696      0.812333      0.166472     Biso  1.000000 S
   S29        1.0     0.073803      0.648109      0.076317     Biso  1.000000 S
   S30        1.0     0.931323      0.359751      0.907417     Biso  1.000000 S
   S31        1.0     0.429413      0.361282      0.595941     Biso  1.000000 S
   S32        1.0     0.546071      0.666178      0.416087     Biso  1.000000 S
   S33        1.0     0.114557      0.380437      0.199540     Biso  1.000000 S
   S34        1.0     0.890817      0.602909      0.804869     Biso  1.000000 S
   S35        1.0     0.372066      0.625604      0.697125     Biso  1.000000 S
   S36        1.0     0.615095      0.392190      0.306161     Biso  1.000000 S
   S37        1.0     0.833761      0.878093      0.443159     Biso  1.000000 S
   S38        1.0     0.169451      0.161733      0.547424     Biso  1.000000 S
   S39        1.0     0.658893      0.131760      0.945050     Biso  1.000000 S
   S40        1.0     0.342499      0.877072      0.049531     Biso  1.000000 S
   S41        1.0     0.367175      0.403315      0.800588     Biso  1.000000 S
   S42        1.0     0.625265      0.614367      0.202956     Biso  1.000000 S
   S43        1.0     0.100442      0.586398      0.290354     Biso  1.000000 S
   S44        1.0     0.890182      0.401831      0.701030     Biso  1.000000 S
   S45        1.0     0.637708      0.874632      0.546521     Biso  1.000000 S
   S46        1.0     0.339493      0.124567      0.437324     Biso  1.000000 S
   S47        1.0     0.851182      0.131550      0.052968     Biso  1.000000 S
   S48        1.0     0.149509      0.882693      0.943777     Biso  1.000000 S
   S49        1.0     0.650643      0.907554      0.708522     Biso  1.000000 S
   S50        1.0     0.359136      0.079214      0.288844     Biso  1.000000 S
   S51        1.0     0.854535      0.112242      0.201420     Biso  1.000000 S
   S52        1.0     0.147625      0.897968      0.796789     Biso  1.000000 S
   S53        1.0     0.352138      0.384800      0.946226     Biso  1.000000 S
   S54        1.0     0.650275      0.642370      0.045279     Biso  1.000000 S
   S55        1.0     0.151759      0.625529      0.449767     Biso  1.000000 S
   S56        1.0     0.860382      0.377355      0.557003     Biso  1.000000 S
   S57        1.0     0.860509      0.896290      0.299540     Biso  1.000000 S
   S58        1.0     0.138668      0.104350      0.692789     Biso  1.000000 S
   S59        1.0     0.636547      0.113912      0.804619     Biso  1.000000 S
   S60        1.0     0.359185      0.875203      0.188772     Biso  1.000000 S
   S61        1.0     0.129281      0.377146      0.045593     Biso  1.000000 S
   S62        1.0     0.857986      0.622101      0.943089     Biso  1.000000 S
   S63        1.0     0.345751      0.648142      0.549874     Biso  1.000000 S
   S64        1.0     0.663066      0.377222      0.452571     Biso  1.000000 S
   S65        1.0     0.318497      0.392254      0.300452     Biso  1.000000 S
   S66        1.0     0.691774      0.619556      0.701473     Biso  1.000000 S
   S67        1.0     0.176820      0.596135      0.798756     Biso  1.000000 S
   S68        1.0     0.804421      0.384261      0.195039     Biso  1.000000 S
   S69        1.0     0.842281      0.086115      0.548034     Biso  1.000000 S
   S70        1.0     0.122244      0.932441      0.455951     Biso  1.000000 S
   S71        1.0     0.644159      0.933466      0.053558     Biso  1.000000 S
   S72        1.0     0.354382      0.086192      0.941005     Biso  1.000000 S
   S73        1.0     0.179940      0.408758      0.693940     Biso  1.000000 S
   S74        1.0     0.825095      0.581735      0.304567     Biso  1.000000 S
   S75        1.0     0.318561      0.588614      0.195119     Biso  1.000000 S
   S76        1.0     0.674296      0.419860      0.803062     Biso  1.000000 S
   S77        1.0     0.646477      0.093423      0.444700     Biso  1.000000 S
   S78        1.0     0.362596      0.939056      0.549001     Biso  1.000000 S
   S79        1.0     0.866045      0.917142      0.957681     Biso  1.000000 S
   S80        1.0     0.159615      0.089405      0.047324     Biso  1.000000 S
   S81        1.0     0.849803      0.916880      0.803604     Biso  1.000000 S
   S82        1.0     0.173529      0.088486      0.191541     Biso  1.000000 S
   S83        1.0     0.658885      0.091403      0.303286     Biso  1.000000 S
   S84        1.0     0.355298      0.914732      0.695355     Biso  1.000000 S
   S85        1.0     0.343905      0.573095      0.052653     Biso  1.000000 S
   S86        1.0     0.655925      0.422239      0.942398     Biso  1.000000 S
   S87        1.0     0.155011      0.424896      0.556725     Biso  1.000000 S
   S88        1.0     0.858359      0.579429      0.447346     Biso  1.000000 S
   S89        1.0     0.653011      0.905734      0.196261     Biso  1.000000 S
   S90        1.0     0.338476      0.112410      0.798085     Biso  1.000000 S
   S91        1.0     0.838594      0.116521      0.699892     Biso  1.000000 S
   S92        1.0     0.153307      0.883219      0.294658     Biso  1.000000 S
   S93        1.0     0.157257      0.587342      0.951458     Biso  1.000000 S
   S94        1.0     0.842592      0.413703      0.044876     Biso  1.000000 S
   S95        1.0     0.334333      0.438002      0.446373     Biso  1.000000 S
   S96        1.0     0.659230      0.572800      0.555065     Biso  1.000000 S
   Na1        1.0     0.207031      0.500865      0.122039     Biso  1.000000 Na
   Na2        1.0     0.783804      0.511856      0.877013     Biso  1.000000 Na
   Na3        1.0     0.292938      0.526606      0.619750     Biso  1.000000 Na
   Na4        1.0     0.708059      0.523139      0.378648     Biso  1.000000 Na
   Na5        1.0     0.724541      0.955572      0.372888     Biso  1.000000 Na
   Na6        1.0     0.223203      0.013709      0.616990     Biso  1.000000 Na
   Na7        1.0     0.762641      0.026782      0.877959     Biso  1.000000 Na
   Na8        1.0     0.214471      0.962425      0.118596     Biso  1.000000 Na
   Na9        1.0     0.271090      0.253444      0.875384     Biso  1.000000 Na
   Na10       1.0     0.741074      0.505472      0.124238     Biso  1.000000 Na
   Na11       1.0     0.218601      0.518431      0.368152     Biso  1.000000 Na
   Na12       1.0     0.744530      0.483932      0.636335     Biso  1.000000 Na
   Na13       1.0     0.764660      0.980032      0.628190     Biso  1.000000 Na
   Na14       1.0     0.221725      0.013778      0.367439     Biso  1.000000 Na
   Na15       1.0     0.805489      0.999403      0.127500     Biso  1.000000 Na
   Na16       1.0     0.262285      0.978195      0.871202     Biso  1.000000 Na
   Na17       1.0     0.235168      0.241491      0.250073     Biso  1.000000 Na
   Na18       1.0     0.807434      0.760147      0.740783     Biso  1.000000 Na
   Na19       1.0     0.277789      0.750912      0.781520     Biso  1.000000 Na
   Na20       1.0     0.745841      0.255621      0.261620     Biso  1.000000 Na
   Na21       1.0     0.005578      0.991753      0.532428     Biso  1.000000 Na
   Na22       1.0     0.497941      0.777797      0.007071     Biso  1.000000 Na
   Na23       1.0     0.219656      0.251761      0.758209     Biso  1.000000 Na
   Na24       1.0     0.719762      0.760341      0.273161     Biso  1.000000 Na
   Na25       1.0     0.230675      0.731353      0.238561     Biso  1.000000 Na
   Na26       1.0     0.753532      0.270768      0.747193     Biso  1.000000 Na
   Na27       1.0     0.487458      0.065830      0.503795     Biso  1.000000 Na
   Na28       1.0     0.996693      0.004171      0.025459     Biso  1.000000 Na
   Na29       1.0     0.486761      0.465464      0.018880     Biso  1.000000 Na
   Na30       1.0     0.023404      0.513280      0.500369     Biso  1.000000 Na
   Na31       1.0     0.001564      0.515290      0.001663     Biso  1.000000 Na
   Na32       1.0     0.498781      0.472935      0.507320     Biso  1.000000 Na
   Na33       1.0     0.465672      0.253413      0.261682     Biso  1.000000 Na
   Na34       1.0     0.023536      0.760771      0.749989     Biso  1.000000 Na
   Na35       1.0     0.015208      0.249754      0.504763     Biso  1.000000 Na
   Na36       1.0     0.975680      0.733664      0.487914     Biso  1.000000 Na
   Na37       1.0     0.764695      0.771924      0.001628     Biso  1.000000 Na
   Na38       1.0     0.509236      0.055202      0.005259     Biso  1.000000 Na
   Na39       1.0     0.990347      0.224443      0.735355     Biso  1.000000 Na
   Na40       1.0     0.956998      0.736159      0.269658     Biso  1.000000 Na
   Na41       1.0     0.474026      0.735425      0.232767     Biso  1.000000 Na
   Na42       1.0     0.981475      0.251974      0.998652     Biso  1.000000 Na
   Na43       1.0     0.485870      0.762052      0.501023     Biso  1.000000 Na
   Na44       1.0     0.498669      0.257778      0.756679     Biso  1.000000 Na
   Na45       1.0     0.492596      0.508419      0.160839     Biso  1.000000 Na
   Na46       1.0     0.538725      0.738321      0.750014     Biso  1.000000 Na
   Na47       1.0     0.028142      0.501566      0.740938     Biso  1.000000 Na
   Na48       1.0     0.960291      0.510834      0.238095     Biso  1.000000 Na
   Na49       1.0     0.745411      0.233443      0.505054     Biso  1.000000 Na
   Na50       1.0     0.244615      0.787503      0.500424     Biso  1.000000 Na
   Na51       1.0     0.002127      0.752526      0.985279     Biso  1.000000 Na
   Na52       1.0     0.251689      0.235259      0.001543     Biso  1.000000 Na
   Na53       1.0     0.991941      0.990032      0.720317     Biso  1.000000 Na
   Na54       1.0     0.986625      0.232193      0.252236     Biso  1.000000 Na
   Na55       1.0     0.512193      0.007513      0.249199     Biso  1.000000 Na
   Na56       1.0     0.482344      0.003801      0.755278     Biso  1.000000 Na
   Na57       1.0     0.273012      0.735648      0.982127     Biso  1.000000 Na
   Na58       1.0     0.704025      0.275350      0.010961     Biso  1.000000 Na
   Na59       1.0     0.299054      0.287847      0.505810     Biso  1.000000 Na
   Na60       1.0     0.744256      0.720212      0.479725     Biso  1.000000 Na
   Na61       1.0     0.275232      0.751851      0.113852     Biso  1.000000 Na
   Na62       1.0     0.719508      0.274525      0.876588     Biso  1.000000 Na
   Na63       1.0     0.257736      0.286954      0.621394     Biso  1.000000 Na
   Na64       1.0     0.482057      0.031615      0.382956     Biso  1.000000 Na
   Na65       1.0     0.499909      0.985663      0.620184     Biso  1.000000 Na
   Na66       1.0     0.010996      0.978567      0.871276     Biso  1.000000 Na
   Na67       1.0     0.001522      0.974000      0.223229     Biso  1.000000 Na
   Na68       1.0     0.282696      0.502591      0.878112     Biso  1.000000 Na
   Na69       1.0     0.735232      0.245504      0.131445     Biso  1.000000 Na
   Na70       1.0     0.265335      0.257015      0.371080     Biso  1.000000 Na
   Na71       1.0     0.743846      0.731044      0.614023     Biso  1.000000 Na
   Na72       1.0     0.987864      0.003191      0.387020     Biso  1.000000 Na
   Na73       1.0     0.502047      0.989605      0.127778     Biso  1.000000 Na
   Na74       1.0     0.509216      0.022015      0.874935     Biso  1.000000 Na
   Na75       1.0     0.775953      0.228033      0.621178     Biso  1.000000 Na
   Na76       1.0     0.212091      0.767650      0.372337     Biso  1.000000 Na
   Na77       1.0     0.713887      0.758053      0.133111     Biso  1.000000 Na
   Na78       1.0     0.044609      0.534892      0.870791     Biso  1.000000 Na
   Na79       1.0     0.984726      0.440135      0.120909     Biso  1.000000 Na
   Na80       1.0     0.460996      0.501945      0.363422     Biso  1.000000 Na
   Na81       1.0     0.522064      0.495746      0.713862     Biso  1.000000 Na
   Na82       1.0     0.740151      0.222053      0.387072     Biso  1.000000 Na
   Na83       1.0     0.269584      0.750619      0.629245     Biso  1.000000 Na
   Na84       1.0     0.761698      0.767312      0.876848     Biso  1.000000 Na
   Na85       1.0     0.239570      0.220663      0.118009     Biso  1.000000 Na
   Na86       1.0     0.496402      0.493352      0.877158     Biso  1.000000 Na
   Na87       1.0     0.027372      0.489699      0.626691     Biso  1.000000 Na
   Na88       1.0     0.947724      0.486724      0.369464     Biso  1.000000 Na
