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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'na88.03 p8 s96 sn16                   '
_cell_length_a                         13.82323
_cell_length_b                         13.79602
_cell_length_c                         27.32974
_cell_angle_alpha                      89.92811
_cell_angle_beta                       89.55094
_cell_angle_gamma                      89.70927
_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     0.215689      0.502112      0.249745     Biso  1.000000 Sn
   Sn2        1.0     0.781215      0.497120      0.747779     Biso  1.000000 Sn
   Sn3        1.0     0.278720      0.492361      0.750803     Biso  1.000000 Sn
   Sn4        1.0     0.714450      0.497299      0.248463     Biso  1.000000 Sn
   Sn5        1.0     0.757352      0.968864      0.499391     Biso  1.000000 Sn
   Sn6        1.0     0.244773      0.033039      0.500987     Biso  1.000000 Sn
   Sn7        1.0     0.745341      0.026582      0.001747     Biso  1.000000 Sn
   Sn8        1.0     0.247742      0.970022      0.998933     Biso  1.000000 Sn
   Sn9        1.0     0.725097      0.995186      0.751200     Biso  1.000000 Sn
   Sn10       1.0     0.270921      0.001697      0.250614     Biso  1.000000 Sn
   Sn11       1.0     0.773643      0.002374      0.251552     Biso  1.000000 Sn
   Sn12       1.0     0.227321      0.993406      0.751562     Biso  1.000000 Sn
   Sn13       1.0     0.242487      0.473033      0.999953     Biso  1.000000 Sn
   Sn14       1.0     0.744042      0.524249      0.999834     Biso  1.000000 Sn
   Sn15       1.0     0.260928      0.529525      0.500419     Biso  1.000000 Sn
   Sn16       1.0     0.757942      0.466993      0.499160     Biso  1.000000 Sn
   P1         1.0     0.509162      0.249392      0.123725     Biso  1.000000 P
   P2         1.0     0.499180      0.760642      0.875061     Biso  1.000000 P
   P3         1.0     0.999741      0.747537      0.625404     Biso  1.000000 P
   P4         1.0     0.995734      0.251171      0.373418     Biso  1.000000 P
   P5         1.0     0.998728      0.249403      0.875091     Biso  1.000000 P
   P6         1.0     0.002609      0.748966      0.125552     Biso  1.000000 P
   P7         1.0     0.498340      0.744210      0.373683     Biso  1.000000 P
   P8         1.0     0.504306      0.248017      0.626005     Biso  1.000000 P
   S1         1.0     0.422258      0.336937      0.167780     Biso  1.000000 S
   S2         1.0     0.593549      0.678011      0.832833     Biso  1.000000 S
   S3         1.0     0.076448      0.653938      0.670525     Biso  1.000000 S
   S4         1.0     0.906445      0.331468      0.327611     Biso  1.000000 S
   S5         1.0     0.913163      0.169302      0.420032     Biso  1.000000 S
   S6         1.0     0.092249      0.842709      0.591347     Biso  1.000000 S
   S7         1.0     0.577285      0.851706      0.919195     Biso  1.000000 S
   S8         1.0     0.425747      0.155949      0.082724     Biso  1.000000 S
   S9         1.0     0.087606      0.327541      0.828681     Biso  1.000000 S
   S10        1.0     0.918125      0.662000      0.170669     Biso  1.000000 S
   S11        1.0     0.403718      0.669663      0.329020     Biso  1.000000 S
   S12        1.0     0.591948      0.331584      0.669532     Biso  1.000000 S
   S13        1.0     0.579967      0.150159      0.583462     Biso  1.000000 S
   S14        1.0     0.419505      0.832436      0.419929     Biso  1.000000 S
   S15        1.0     0.920622      0.844713      0.085266     Biso  1.000000 S
   S16        1.0     0.084175      0.163079      0.918959     Biso  1.000000 S
   S17        1.0     0.901243      0.823493      0.667363     Biso  1.000000 S
   S18        1.0     0.082817      0.160366      0.332312     Biso  1.000000 S
   S19        1.0     0.600702      0.170639      0.167650     Biso  1.000000 S
   S20        1.0     0.411317      0.840536      0.830067     Biso  1.000000 S
   S21        1.0     0.412804      0.672821      0.918839     Biso  1.000000 S
   S22        1.0     0.588160      0.336850      0.077624     Biso  1.000000 S
   S23        1.0     0.082239      0.345652      0.412684     Biso  1.000000 S
   S24        1.0     0.928451      0.666786      0.573229     Biso  1.000000 S
   S25        1.0     0.592850      0.821221      0.329793     Biso  1.000000 S
   S26        1.0     0.409628      0.172108      0.670938     Biso  1.000000 S
   S27        1.0     0.903519      0.170977      0.833268     Biso  1.000000 S
   S28        1.0     0.096647      0.826318      0.168796     Biso  1.000000 S
   S29        1.0     0.078842      0.661426      0.077521     Biso  1.000000 S
   S30        1.0     0.920407      0.343011      0.919848     Biso  1.000000 S
   S31        1.0     0.428355      0.340199      0.580514     Biso  1.000000 S
   S32        1.0     0.577961      0.647100      0.415263     Biso  1.000000 S
   S33        1.0     0.118695      0.397906      0.198800     Biso  1.000000 S
   S34        1.0     0.875393      0.600882      0.800861     Biso  1.000000 S
   S35        1.0     0.381968      0.599470      0.703422     Biso  1.000000 S
   S36        1.0     0.614932      0.394254      0.300244     Biso  1.000000 S
   S37        1.0     0.845637      0.865632      0.441936     Biso  1.000000 S
   S38        1.0     0.152736      0.136284      0.555699     Biso  1.000000 S
   S39        1.0     0.648938      0.129987      0.948464     Biso  1.000000 S
   S40        1.0     0.352033      0.873580      0.051371     Biso  1.000000 S
   S41        1.0     0.373370      0.386835      0.802291     Biso  1.000000 S
   S42        1.0     0.616050      0.601180      0.197598     Biso  1.000000 S
   S43        1.0     0.115548      0.604732      0.301924     Biso  1.000000 S
   S44        1.0     0.884585      0.395554      0.697367     Biso  1.000000 S
   S45        1.0     0.651660      0.866177      0.549125     Biso  1.000000 S
   S46        1.0     0.344101      0.133538      0.447303     Biso  1.000000 S
   S47        1.0     0.853717      0.125986      0.050290     Biso  1.000000 S
   S48        1.0     0.148356      0.867944      0.947974     Biso  1.000000 S
   S49        1.0     0.621413      0.898413      0.698953     Biso  1.000000 S
   S50        1.0     0.368792      0.112376      0.297510     Biso  1.000000 S
   S51        1.0     0.879283      0.101626      0.200405     Biso  1.000000 S
   S52        1.0     0.127633      0.882572      0.798274     Biso  1.000000 S
   S53        1.0     0.349189      0.369696      0.952322     Biso  1.000000 S
   S54        1.0     0.634566      0.623090      0.048266     Biso  1.000000 S
   S55        1.0     0.153110      0.631706      0.453139     Biso  1.000000 S
   S56        1.0     0.868143      0.373141      0.548300     Biso  1.000000 S
   S57        1.0     0.871135      0.893510      0.301044     Biso  1.000000 S
   S58        1.0     0.122024      0.097090      0.703460     Biso  1.000000 S
   S59        1.0     0.625852      0.105370      0.800396     Biso  1.000000 S
   S60        1.0     0.378256      0.899483      0.201696     Biso  1.000000 S
   S61        1.0     0.136267      0.377450      0.050999     Biso  1.000000 S
   S62        1.0     0.847369      0.630049      0.951375     Biso  1.000000 S
   S63        1.0     0.369138      0.622027      0.550873     Biso  1.000000 S
   S64        1.0     0.648418      0.364460      0.453420     Biso  1.000000 S
   S65        1.0     0.318726      0.400379      0.299945     Biso  1.000000 S
   S66        1.0     0.674030      0.592117      0.696547     Biso  1.000000 S
   S67        1.0     0.177356      0.595711      0.802037     Biso  1.000000 S
   S68        1.0     0.820732      0.404248      0.195461     Biso  1.000000 S
   S69        1.0     0.858568      0.062012      0.552133     Biso  1.000000 S
   S70        1.0     0.154955      0.921669      0.450191     Biso  1.000000 S
   S71        1.0     0.643229      0.929213      0.054586     Biso  1.000000 S
   S72        1.0     0.342664      0.079005      0.948277     Biso  1.000000 S
   S73        1.0     0.177012      0.401547      0.695761     Biso  1.000000 S
   S74        1.0     0.818077      0.595752      0.299742     Biso  1.000000 S
   S75        1.0     0.319573      0.596141      0.196174     Biso  1.000000 S
   S76        1.0     0.677899      0.396454      0.798122     Biso  1.000000 S
   S77        1.0     0.656700      0.079791      0.453004     Biso  1.000000 S
   S78        1.0     0.352919      0.932811      0.549050     Biso  1.000000 S
   S79        1.0     0.841974      0.916305      0.953063     Biso  1.000000 S
   S80        1.0     0.144907      0.071684      0.049559     Biso  1.000000 S
   S81        1.0     0.821449      0.891944      0.803959     Biso  1.000000 S
   S82        1.0     0.165016      0.094819      0.198443     Biso  1.000000 S
   S83        1.0     0.674027      0.105594      0.303569     Biso  1.000000 S
   S84        1.0     0.334453      0.902517      0.698222     Biso  1.000000 S
   S85        1.0     0.345754      0.571914      0.051347     Biso  1.000000 S
   S86        1.0     0.652725      0.419155      0.946935     Biso  1.000000 S
   S87        1.0     0.159363      0.431788      0.553727     Biso  1.000000 S
   S88        1.0     0.846859      0.570764      0.443007     Biso  1.000000 S
   S89        1.0     0.666380      0.906578      0.202218     Biso  1.000000 S
   S90        1.0     0.321002      0.096264      0.805838     Biso  1.000000 S
   S91        1.0     0.836041      0.088211      0.701633     Biso  1.000000 S
   S92        1.0     0.176400      0.899819      0.305671     Biso  1.000000 S
   S93        1.0     0.152217      0.576719      0.944877     Biso  1.000000 S
   S94        1.0     0.846855      0.429061      0.053957     Biso  1.000000 S
   S95        1.0     0.350303      0.421477      0.445997     Biso  1.000000 S
   S96        1.0     0.659613      0.568798      0.552905     Biso  1.000000 S
   Na1        1.0     0.261184      0.446701      0.125781     Biso  1.000000 Na
   Na2        1.0     0.732959      0.531956      0.871920     Biso  1.000000 Na
   Na3        1.0     0.244918      0.553822      0.627402     Biso  1.000000 Na
   Na4        1.0     0.724728      0.480884      0.374858     Biso  1.000000 Na
   Na5        1.0     0.720177      0.966461      0.374499     Biso  1.000000 Na
   Na6        1.0     0.226345      0.995440      0.625318     Biso  1.000000 Na
   Na7        1.0     0.766130      0.028899      0.875177     Biso  1.000000 Na
   Na8        1.0     0.279625      0.014892      0.123038     Biso  1.000000 Na
   Na9        1.0     0.303035      0.510242      0.876844     Biso  1.000000 Na
   Na10       1.0     0.759129      0.555524      0.125716     Biso  1.000000 Na
   Na11       1.0     0.220254      0.501879      0.377003     Biso  1.000000 Na
   Na12       1.0     0.744957      0.441304      0.625005     Biso  1.000000 Na
   Na13       1.0     0.724851      0.009197      0.624141     Biso  1.000000 Na
   Na14       1.0     0.296917      0.993949      0.377489     Biso  1.000000 Na
   Na15       1.0     0.778762      0.986797      0.125681     Biso  1.000000 Na
   Na16       1.0     0.196059      0.006709      0.875984     Biso  1.000000 Na
   Na17       1.0     0.270773      0.254106      0.228207     Biso  1.000000 Na
   Na18       1.0     0.730538      0.745228      0.754671     Biso  1.000000 Na
   Na19       1.0     0.227700      0.741061      0.728550     Biso  1.000000 Na
   Na20       1.0     0.767912      0.251860      0.255066     Biso  1.000000 Na
   Na21       1.0     0.494882      0.017736      0.005270     Biso  1.000000 Na
   Na22       1.0     0.249935      0.244206      0.747725     Biso  1.000000 Na
   Na23       1.0     0.763447      0.745496      0.233354     Biso  1.000000 Na
   Na24       1.0     0.257962      0.751329      0.252169     Biso  1.000000 Na
   Na25       1.0     0.741552      0.250347      0.731928     Biso  1.000000 Na
   Na26       1.0     0.493968      0.986672      0.481542     Biso  1.000000 Na
   Na27       1.0     0.002653      0.011527      0.982402     Biso  1.000000 Na
   Na28       1.0     0.490956      0.520533      0.979552     Biso  1.000000 Na
   Na29       1.0     0.008588      0.504501      0.495806     Biso  1.000000 Na
   Na30       1.0     0.993872      0.499650      0.994416     Biso  1.000000 Na
   Na31       1.0     0.506142      0.488660      0.501530     Biso  1.000000 Na
   Na32       1.0     0.517101      0.234024      0.256327     Biso  1.000000 Na
   Na33       1.0     0.480410      0.765686      0.741052     Biso  1.000000 Na
   Na34       1.0     0.016249      0.243931      0.243092     Biso  1.000000 Na
   Na35       1.0     0.983504      0.206742      0.512744     Biso  1.000000 Na
   Na36       1.0     0.005916      0.813200      0.499899     Biso  1.000000 Na
   Na37       1.0     0.510551      0.769070      0.007244     Biso  1.000000 Na
   Na38       1.0     0.993615      0.246105      0.743433     Biso  1.000000 Na
   Na39       1.0     0.506292      0.748657      0.242434     Biso  1.000000 Na
   Na40       1.0     0.507033      0.261844      0.757536     Biso  1.000000 Na
   Na41       1.0     0.506789      0.743197      0.505406     Biso  1.000000 Na
   Na42       1.0     0.998288      0.759035      0.993494     Biso  1.000000 Na
   Na43       1.0     0.009424      0.245426      0.007157     Biso  1.000000 Na
   Na44       1.0     0.511826      0.266751      0.990079     Biso  1.000000 Na
   Na45       1.0     0.494884      0.236002      0.495021     Biso  1.000000 Na
   Na46       1.0     0.007398      0.758314      0.257059     Biso  1.000000 Na
   Na47       1.0     0.980110      0.758992      0.757052     Biso  1.000000 Na
   Na48       1.0     0.466477      0.488171      0.242190     Biso  1.000000 Na
   Na49       1.0     0.527183      0.518850      0.769494     Biso  1.000000 Na
   Na50       1.0     0.029653      0.505240      0.745570     Biso  1.000000 Na
   Na51       1.0     0.966592      0.503996      0.245186     Biso  1.000000 Na
   Na52       1.0     0.738028      0.217428      0.522854     Biso  1.000000 Na
   Na53       1.0     0.242293      0.777050      0.520769     Biso  1.000000 Na
   Na54       1.0     0.763206      0.775870      0.023231     Biso  1.000000 Na
   Na55       1.0     0.266219      0.222520      0.018547     Biso  1.000000 Na
   Na56       1.0     0.975125      0.010719      0.771391     Biso  1.000000 Na
   Na57       1.0     0.023500      0.007322      0.261262     Biso  1.000000 Na
   Na58       1.0     0.522320      0.983886      0.272315     Biso  1.000000 Na
   Na59       1.0     0.474099      0.014107      0.747841     Biso  1.000000 Na
   Na60       1.0     0.260297      0.721760      0.993480     Biso  1.000000 Na
   Na61       1.0     0.760924      0.277246      0.997412     Biso  1.000000 Na
   Na62       1.0     0.228016      0.282375      0.491086     Biso  1.000000 Na
   Na63       1.0     0.763673      0.717402      0.501271     Biso  1.000000 Na
   Na64       1.0     0.740393      0.275701      0.873346     Biso  1.000000 Na
   Na65       1.0     0.248779      0.275918      0.618323     Biso  1.000000 Na
   Na66       1.0     0.758816      0.727656      0.373621     Biso  1.000000 Na
   Na67       1.0     0.476787      0.988131      0.624083     Biso  1.000000 Na
   Na68       1.0     0.026281      0.007272      0.128079     Biso  1.000000 Na
   Na69       1.0     0.236581      0.755312      0.865301     Biso  1.000000 Na
   Na70       1.0     0.763541      0.266553      0.122077     Biso  1.000000 Na
   Na71       1.0     0.257881      0.244969      0.365243     Biso  1.000000 Na
   Na72       1.0     0.743413      0.725567      0.621991     Biso  1.000000 Na
   Na73       1.0     0.978518      0.003841      0.631037     Biso  1.000000 Na
   Na74       1.0     0.998549      0.990985      0.392557     Biso  1.000000 Na
   Na75       1.0     0.526506      0.990958      0.136524     Biso  1.000000 Na
   Na76       1.0     0.481760      0.016270      0.873621     Biso  1.000000 Na
   Na77       1.0     0.238042      0.761853      0.385349     Biso  1.000000 Na
   Na78       1.0     0.259608      0.250361      0.878510     Biso  1.000000 Na
   Na79       1.0     0.005514      0.486953      0.120546     Biso  1.000000 Na
   Na80       1.0     0.470990      0.488910      0.368413     Biso  1.000000 Na
   Na81       1.0     0.505532      0.509718      0.631278     Biso  1.000000 Na
   Na82       1.0     0.732881      0.223373      0.385869     Biso  1.000000 Na
   Na83       1.0     0.757259      0.778119      0.886339     Biso  1.000000 Na
   Na84       1.0     0.507535      0.511906      0.114470     Biso  1.000000 Na
   Na85       1.0     0.997385      0.485996      0.619017     Biso  1.000000 Na
   Na86       1.0     0.021425      0.507813      0.868681     Biso  1.000000 Na
   Na87       1.0     0.257396      0.728016      0.119354     Biso  1.000000 Na
   Na88       1.0     0.973910      0.507898      0.367887     Biso  1.000000 Na
