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

# 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     0.240104      0.498350      0.240664     Biso  1.000000 Sn
   Sn2        1.0     0.782028      0.512284      0.761106     Biso  1.000000 Sn
   Sn3        1.0     0.286872      0.523621      0.740691     Biso  1.000000 Sn
   Sn4        1.0     0.736960      0.503032      0.249494     Biso  1.000000 Sn
   Sn5        1.0     0.753590      0.968360      0.490685     Biso  1.000000 Sn
   Sn6        1.0     0.252130      0.010892      0.491375     Biso  1.000000 Sn
   Sn7        1.0     0.735488      0.073875      0.986220     Biso  1.000000 Sn
   Sn8        1.0     0.247532      0.984012      0.004564     Biso  1.000000 Sn
   Sn9        1.0     0.719980      0.018419      0.742416     Biso  1.000000 Sn
   Sn10       1.0     0.291737      0.988159      0.249069     Biso  1.000000 Sn
   Sn11       1.0     0.774675      0.983885      0.248953     Biso  1.000000 Sn
   Sn12       1.0     0.213383      0.015650      0.749701     Biso  1.000000 Sn
   Sn13       1.0     0.256662      0.494576      0.997560     Biso  1.000000 Sn
   Sn14       1.0     0.768362      0.555029      0.000009     Biso  1.000000 Sn
   Sn15       1.0     0.247885      0.505690      0.498586     Biso  1.000000 Sn
   Sn16       1.0     0.747082      0.459991      0.501396     Biso  1.000000 Sn
   P1         1.0     0.499923      0.278138      0.124508     Biso  1.000000 P
   P2         1.0     0.479731      0.775679      0.860082     Biso  1.000000 P
   P3         1.0     0.004457      0.719715      0.619345     Biso  1.000000 P
   P4         1.0     0.998249      0.228937      0.363061     Biso  1.000000 P
   P5         1.0     0.001547      0.265212      0.873449     Biso  1.000000 P
   P6         1.0     0.997049      0.765766      0.129768     Biso  1.000000 P
   P7         1.0     0.488745      0.763829      0.372982     Biso  1.000000 P
   P8         1.0     0.501838      0.250774      0.610024     Biso  1.000000 P
   S1         1.0     0.420067      0.363396      0.173635     Biso  1.000000 S
   S2         1.0     0.557314      0.708682      0.806194     Biso  1.000000 S
   S3         1.0     0.102414      0.648144      0.663905     Biso  1.000000 S
   S4         1.0     0.909437      0.307872      0.316700     Biso  1.000000 S
   S5         1.0     0.914592      0.136860      0.408191     Biso  1.000000 S
   S6         1.0     0.085578      0.802768      0.572019     Biso  1.000000 S
   S7         1.0     0.565965      0.882772      0.895634     Biso  1.000000 S
   S8         1.0     0.419579      0.196841      0.081220     Biso  1.000000 S
   S9         1.0     0.100226      0.362387      0.834799     Biso  1.000000 S
   S10        1.0     0.906285      0.676084      0.175763     Biso  1.000000 S
   S11        1.0     0.407505      0.673935      0.328578     Biso  1.000000 S
   S12        1.0     0.586304      0.346539      0.649142     Biso  1.000000 S
   S13        1.0     0.575205      0.149867      0.565734     Biso  1.000000 S
   S14        1.0     0.401557      0.847613      0.413447     Biso  1.000000 S
   S15        1.0     0.913897      0.867852      0.087640     Biso  1.000000 S
   S16        1.0     0.095052      0.179082      0.918857     Biso  1.000000 S
   S17        1.0     0.934782      0.829972      0.662189     Biso  1.000000 S
   S18        1.0     0.094384      0.153953      0.323567     Biso  1.000000 S
   S19        1.0     0.600216      0.198926      0.165624     Biso  1.000000 S
   S20        1.0     0.368117      0.844153      0.834367     Biso  1.000000 S
   S21        1.0     0.414677      0.677525      0.909641     Biso  1.000000 S
   S22        1.0     0.590836      0.364824      0.079357     Biso  1.000000 S
   S23        1.0     0.055647      0.325125      0.412264     Biso  1.000000 S
   S24        1.0     0.916990      0.624556      0.585975     Biso  1.000000 S
   S25        1.0     0.585999      0.837734      0.333457     Biso  1.000000 S
   S26        1.0     0.423098      0.176452      0.661814     Biso  1.000000 S
   S27        1.0     0.925503      0.173938      0.830761     Biso  1.000000 S
   S28        1.0     0.077739      0.834710      0.186016     Biso  1.000000 S
   S29        1.0     0.073739      0.684328      0.084202     Biso  1.000000 S
   S30        1.0     0.911341      0.345485      0.916166     Biso  1.000000 S
   S31        1.0     0.402594      0.331897      0.569046     Biso  1.000000 S
   S32        1.0     0.578712      0.678021      0.418852     Biso  1.000000 S
   S33        1.0     0.127112      0.398483      0.193961     Biso  1.000000 S
   S34        1.0     0.869260      0.622320      0.806140     Biso  1.000000 S
   S35        1.0     0.396549      0.603965      0.680731     Biso  1.000000 S
   S36        1.0     0.630044      0.411788      0.304646     Biso  1.000000 S
   S37        1.0     0.851573      0.854895      0.448169     Biso  1.000000 S
   S38        1.0     0.131135      0.111518      0.535626     Biso  1.000000 S
   S39        1.0     0.643109      0.170164      0.934652     Biso  1.000000 S
   S40        1.0     0.364584      0.884863      0.050407     Biso  1.000000 S
   S41        1.0     0.365738      0.407903      0.800294     Biso  1.000000 S
   S42        1.0     0.646895      0.591413      0.191880     Biso  1.000000 S
   S43        1.0     0.138932      0.604920      0.290870     Biso  1.000000 S
   S44        1.0     0.876447      0.413380      0.710548     Biso  1.000000 S
   S45        1.0     0.639167      0.865867      0.540540     Biso  1.000000 S
   S46        1.0     0.367179      0.113224      0.440842     Biso  1.000000 S
   S47        1.0     0.858739      0.146468      0.040997     Biso  1.000000 S
   S48        1.0     0.134056      0.878769      0.957525     Biso  1.000000 S
   S49        1.0     0.635426      0.897607      0.697472     Biso  1.000000 S
   S50        1.0     0.385621      0.095605      0.301254     Biso  1.000000 S
   S51        1.0     0.877082      0.080504      0.199565     Biso  1.000000 S
   S52        1.0     0.117363      0.918454      0.806662     Biso  1.000000 S
   S53        1.0     0.346494      0.380914      0.935597     Biso  1.000000 S
   S54        1.0     0.657003      0.663041      0.045309     Biso  1.000000 S
   S55        1.0     0.160799      0.609489      0.442023     Biso  1.000000 S
   S56        1.0     0.852344      0.370170      0.553629     Biso  1.000000 S
   S57        1.0     0.882057      0.872755      0.299996     Biso  1.000000 S
   S58        1.0     0.112377      0.116612      0.694076     Biso  1.000000 S
   S59        1.0     0.621988      0.117902      0.798525     Biso  1.000000 S
   S60        1.0     0.385870      0.893269      0.188586     Biso  1.000000 S
   S61        1.0     0.151992      0.390754      0.048789     Biso  1.000000 S
   S62        1.0     0.853191      0.647929      0.936942     Biso  1.000000 S
   S63        1.0     0.350966      0.611751      0.545943     Biso  1.000000 S
   S64        1.0     0.645927      0.367409      0.450857     Biso  1.000000 S
   S65        1.0     0.338967      0.405344      0.297600     Biso  1.000000 S
   S66        1.0     0.683974      0.595363      0.700387     Biso  1.000000 S
   S67        1.0     0.196796      0.632317      0.788423     Biso  1.000000 S
   S68        1.0     0.827899      0.395490      0.202422     Biso  1.000000 S
   S69        1.0     0.862131      0.066803      0.535424     Biso  1.000000 S
   S70        1.0     0.144477      0.919560      0.442041     Biso  1.000000 S
   S71        1.0     0.631589      0.980630      0.039039     Biso  1.000000 S
   S72        1.0     0.343827      0.084765      0.946259     Biso  1.000000 S
   S73        1.0     0.183540      0.408393      0.686707     Biso  1.000000 S
   S74        1.0     0.839134      0.583853      0.307359     Biso  1.000000 S
   S75        1.0     0.337352      0.604486      0.190679     Biso  1.000000 S
   S76        1.0     0.660462      0.411046      0.800379     Biso  1.000000 S
   S77        1.0     0.634082      0.064053      0.440332     Biso  1.000000 S
   S78        1.0     0.341307      0.914144      0.545424     Biso  1.000000 S
   S79        1.0     0.839599      0.962620      0.939450     Biso  1.000000 S
   S80        1.0     0.156388      0.079647      0.061869     Biso  1.000000 S
   S81        1.0     0.820828      0.917422      0.790779     Biso  1.000000 S
   S82        1.0     0.186457      0.108888      0.203419     Biso  1.000000 S
   S83        1.0     0.678642      0.107553      0.295943     Biso  1.000000 S
   S84        1.0     0.304372      0.911088      0.698461     Biso  1.000000 S
   S85        1.0     0.364726      0.577702      0.052952     Biso  1.000000 S
   S86        1.0     0.651550      0.463164      0.948562     Biso  1.000000 S
   S87        1.0     0.136185      0.401879      0.543213     Biso  1.000000 S
   S88        1.0     0.828240      0.578875      0.450666     Biso  1.000000 S
   S89        1.0     0.664105      0.903194      0.201732     Biso  1.000000 S
   S90        1.0     0.330086      0.117484      0.792363     Biso  1.000000 S
   S91        1.0     0.816962      0.125990      0.694563     Biso  1.000000 S
   S92        1.0     0.197270      0.900782      0.307838     Biso  1.000000 S
   S93        1.0     0.153441      0.604075      0.950269     Biso  1.000000 S
   S94        1.0     0.860493      0.454275      0.045663     Biso  1.000000 S
   S95        1.0     0.352464      0.414368      0.446124     Biso  1.000000 S
   S96        1.0     0.650322      0.565838      0.551661     Biso  1.000000 S
   Na1        1.0     0.244723      0.259118      0.132419     Biso  1.000000 Na
   Na2        1.0     0.750388      0.302236      0.973333     Biso  1.000000 Na
   Na3        1.0     0.470235      0.504774      0.600157     Biso  1.000000 Na
   Na4        1.0     0.948668      0.467086      0.383265     Biso  1.000000 Na
   Na5        1.0     0.495527      0.022638      0.370688     Biso  1.000000 Na
   Na6        1.0     0.159107      0.996511      0.623488     Biso  1.000000 Na
   Na7        1.0     0.988451      0.011167      0.002496     Biso  1.000000 Na
   Na8        1.0     0.462291      0.006176      0.114515     Biso  1.000000 Na
   Na9        1.0     0.249974      0.259240      0.871656     Biso  1.000000 Na
   Na10       1.0     0.741126      0.746654      0.153362     Biso  1.000000 Na
   Na11       1.0     0.224658      0.754465      0.496302     Biso  1.000000 Na
   Na12       1.0     0.756428      0.485522      0.630796     Biso  1.000000 Na
   Na13       1.0     0.713153      0.732282      0.621980     Biso  1.000000 Na
   Na14       1.0     0.212424      0.279535      0.463880     Biso  1.000000 Na
   Na15       1.0     0.752930      0.012286      0.120324     Biso  1.000000 Na
   Na16       1.0     0.227384      0.986075      0.880545     Biso  1.000000 Na
   Na17       1.0     0.015651      0.205140      0.227440     Biso  1.000000 Na
   Na18       1.0     0.739035      0.760599      0.738526     Biso  1.000000 Na
   Na19       1.0     0.420927      0.757543      0.739253     Biso  1.000000 Na
   Na20       1.0     0.759142      0.249129      0.254363     Biso  1.000000 Na
   Na21       1.0     0.004368      0.234504      0.505536     Biso  1.000000 Na
   Na22       1.0     0.523479      0.787728      0.012980     Biso  1.000000 Na
   Na23       1.0     0.026638      0.283569      0.756381     Biso  1.000000 Na
   Na24       1.0     0.523019      0.754238      0.237551     Biso  1.000000 Na
   Na25       1.0     0.503494      0.542078      0.128828     Biso  1.000000 Na
   Na26       1.0     0.745915      0.230006      0.611237     Biso  1.000000 Na
   Na27       1.0     0.256242      0.500802      0.370881     Biso  1.000000 Na
   Na28       1.0     0.006734      0.319051      0.999827     Biso  1.000000 Na
   Na29       1.0     0.746302      0.499510      0.116633     Biso  1.000000 Na
   Na30       1.0     0.991454      0.561872      0.498663     Biso  1.000000 Na
   Na31       1.0     0.001133      0.718015      0.994376     Biso  1.000000 Na
   Na32       1.0     0.467507      0.751650      0.506733     Biso  1.000000 Na
   Na33       1.0     0.243449      0.245942      0.271745     Biso  1.000000 Na
   Na34       1.0     0.982578      0.759826      0.756429     Biso  1.000000 Na
   Na35       1.0     0.000813      0.928979      0.509130     Biso  1.000000 Na
   Na36       1.0     0.009057      0.463333      0.632554     Biso  1.000000 Na
   Na37       1.0     0.508602      0.581064      0.982822     Biso  1.000000 Na
   Na38       1.0     0.275561      0.265334      0.005639     Biso  1.000000 Na
   Na39       1.0     0.752532      0.264156      0.758299     Biso  1.000000 Na
   Na40       1.0     0.971639      0.734933      0.259001     Biso  1.000000 Na
   Na41       1.0     0.224942      0.548388      0.118555     Biso  1.000000 Na
   Na42       1.0     0.788941      0.485643      0.880659     Biso  1.000000 Na
   Na43       1.0     0.489553      0.259267      0.469137     Biso  1.000000 Na
   Na44       1.0     0.518225      0.246500      0.735705     Biso  1.000000 Na
   Na45       1.0     0.474574      0.473708      0.369753     Biso  1.000000 Na
   Na46       1.0     0.469376      0.994385      0.738078     Biso  1.000000 Na
   Na47       1.0     0.018655      0.524567      0.877784     Biso  1.000000 Na
   Na48       1.0     0.221301      0.750727      0.234876     Biso  1.000000 Na
   Na49       1.0     0.735924      0.221241      0.487719     Biso  1.000000 Na
   Na50       1.0     0.505359      0.496965      0.488662     Biso  1.000000 Na
   Na51       1.0     0.786725      0.812710      0.999325     Biso  1.000000 Na
   Na52       1.0     0.982875      0.478898      0.125140     Biso  1.000000 Na
   Na53       1.0     0.977832      0.029696      0.756036     Biso  1.000000 Na
   Na54       1.0     0.039474      0.978432      0.253697     Biso  1.000000 Na
   Na55       1.0     0.504708      0.275179      0.249061     Biso  1.000000 Na
   Na56       1.0     0.483586      0.985399      0.619625     Biso  1.000000 Na
   Na57       1.0     0.249569      0.739441      0.012441     Biso  1.000000 Na
   Na58       1.0     0.532250      0.314720      0.989578     Biso  1.000000 Na
   Na59       1.0     0.261969      0.258234      0.726560     Biso  1.000000 Na
   Na60       1.0     0.785505      0.994124      0.366596     Biso  1.000000 Na
   Na61       1.0     0.491281      0.509067      0.242789     Biso  1.000000 Na
   Na62       1.0     0.760147      0.042619      0.863160     Biso  1.000000 Na
   Na63       1.0     0.233608      0.531725      0.606589     Biso  1.000000 Na
   Na64       1.0     0.530191      0.995945      0.250246     Biso  1.000000 Na
   Na65       1.0     0.484260      0.008685      0.495877     Biso  1.000000 Na
   Na66       1.0     0.002405      0.017165      0.885746     Biso  1.000000 Na
   Na67       1.0     0.017757      0.021405      0.136552     Biso  1.000000 Na
   Na68       1.0     0.227210      0.752082      0.892071     Biso  1.000000 Na
   Na69       1.0     0.778086      0.253797      0.119508     Biso  1.000000 Na
   Na70       1.0     0.241793      0.235245      0.592028     Biso  1.000000 Na
   Na71       1.0     0.705240      0.715081      0.482957     Biso  1.000000 Na
   Na72       1.0     0.014751      0.921359      0.369905     Biso  1.000000 Na
   Na73       1.0     0.500069      0.988024      0.976621     Biso  1.000000 Na
   Na74       1.0     0.451536      0.047905      0.862470     Biso  1.000000 Na
   Na75       1.0     0.818325      0.992250      0.626851     Biso  1.000000 Na
   Na76       1.0     0.249395      0.022149      0.371625     Biso  1.000000 Na
   Na77       1.0     0.773662      0.753938      0.370664     Biso  1.000000 Na
   Na78       1.0     0.315931      0.536712      0.862481     Biso  1.000000 Na
   Na79       1.0     0.988141      0.493934      0.257385     Biso  1.000000 Na
   Na80       1.0     0.725416      0.507249      0.381132     Biso  1.000000 Na
   Na81       1.0     0.530949      0.520185      0.758209     Biso  1.000000 Na
   Na82       1.0     0.744272      0.222583      0.370408     Biso  1.000000 Na
   Na83       1.0     0.251278      0.763198      0.641329     Biso  1.000000 Na
   Na84       1.0     0.744055      0.770338      0.857407     Biso  1.000000 Na
   Na85       1.0     0.242218      0.943194      0.126363     Biso  1.000000 Na
   Na86       1.0     0.541259      0.476813      0.873711     Biso  1.000000 Na
   Na87       1.0     0.046201      0.537346      0.736262     Biso  1.000000 Na
   Na88       1.0     0.232273      0.742874      0.370014     Biso  1.000000 Na
