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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'na88.03 p8 s96 sn16                   '
_cell_length_a                         13.82460
_cell_length_b                         13.82474
_cell_length_c                         27.36810
_cell_angle_alpha                      89.68304
_cell_angle_beta                       90.23952
_cell_angle_gamma                      90.29031
_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     0.217438      0.505913      0.250653     Biso  1.000000 Sn
   Sn2        1.0     0.784537      0.496616      0.747223     Biso  1.000000 Sn
   Sn3        1.0     0.282161      0.491676      0.751213     Biso  1.000000 Sn
   Sn4        1.0     0.713842      0.500991      0.248419     Biso  1.000000 Sn
   Sn5        1.0     0.753854      0.968583      0.501881     Biso  1.000000 Sn
   Sn6        1.0     0.251452      0.031682      0.496104     Biso  1.000000 Sn
   Sn7        1.0     0.743096      0.025604      0.003167     Biso  1.000000 Sn
   Sn8        1.0     0.247476      0.961890     -0.002289     Biso  1.000000 Sn
   Sn9        1.0     0.721557     -0.006119      0.753214     Biso  1.000000 Sn
   Sn10       1.0     0.282658      0.002262      0.249069     Biso  1.000000 Sn
   Sn11       1.0     0.780775      0.002148      0.251586     Biso  1.000000 Sn
   Sn12       1.0     0.223680     -0.006807      0.749106     Biso  1.000000 Sn
   Sn13       1.0     0.249471      0.463124      0.002111     Biso  1.000000 Sn
   Sn14       1.0     0.746038      0.523311      0.000602     Biso  1.000000 Sn
   Sn15       1.0     0.260360      0.532791      0.500710     Biso  1.000000 Sn
   Sn16       1.0     0.760110      0.475984      0.497895     Biso  1.000000 Sn
   P1         1.0     0.497916      0.246256      0.127651     Biso  1.000000 P
   P2         1.0     0.499201      0.756547      0.874027     Biso  1.000000 P
   P3         1.0    -0.007237      0.748635      0.624487     Biso  1.000000 P
   P4         1.0     0.001551      0.243728      0.372338     Biso  1.000000 P
   P5         1.0    -0.000556      0.252873      0.871572     Biso  1.000000 P
   P6         1.0     0.003475      0.749623      0.126308     Biso  1.000000 P
   P7         1.0     0.502307      0.759493      0.373152     Biso  1.000000 P
   P8         1.0     0.498479      0.247531      0.628158     Biso  1.000000 P
   S1         1.0     0.401557      0.327898      0.168892     Biso  1.000000 S
   S2         1.0     0.596128      0.676497      0.833617     Biso  1.000000 S
   S3         1.0     0.082846      0.663890      0.667538     Biso  1.000000 S
   S4         1.0     0.904032      0.320025      0.329173     Biso  1.000000 S
   S5         1.0     0.926056      0.146259      0.415192     Biso  1.000000 S
   S6         1.0     0.071242      0.847287      0.582540     Biso  1.000000 S
   S7         1.0     0.574529      0.850918      0.918443     Biso  1.000000 S
   S8         1.0     0.421518      0.149598      0.084582     Biso  1.000000 S
   S9         1.0     0.088379      0.330504      0.824561     Biso  1.000000 S
   S10        1.0     0.916562      0.666078      0.171593     Biso  1.000000 S
   S11        1.0     0.413071      0.676646      0.328673     Biso  1.000000 S
   S12        1.0     0.588108      0.332250      0.670639     Biso  1.000000 S
   S13        1.0     0.578293      0.149782      0.588171     Biso  1.000000 S
   S14        1.0     0.419008      0.851453      0.414288     Biso  1.000000 S
   S15        1.0     0.923396      0.841246      0.082850     Biso  1.000000 S
   S16        1.0     0.086388      0.164857      0.913723     Biso  1.000000 S
   S17        1.0     0.899780      0.824016      0.668564     Biso  1.000000 S
   S18        1.0     0.096600      0.169965      0.327562     Biso  1.000000 S
   S19        1.0     0.590268      0.171306      0.173792     Biso  1.000000 S
   S20        1.0     0.410581      0.832798      0.827165     Biso  1.000000 S
   S21        1.0     0.413529      0.667969      0.917839     Biso  1.000000 S
   S22        1.0     0.577226      0.337422      0.084100     Biso  1.000000 S
   S23        1.0     0.080020      0.334465      0.417560     Biso  1.000000 S
   S24        1.0     0.916150      0.659201      0.578340     Biso  1.000000 S
   S25        1.0     0.597287      0.839970      0.330669     Biso  1.000000 S
   S26        1.0     0.405128      0.169330      0.673208     Biso  1.000000 S
   S27        1.0     0.902325      0.172984      0.830775     Biso  1.000000 S
   S28        1.0     0.096158      0.832651      0.169034     Biso  1.000000 S
   S29        1.0     0.080995      0.657360      0.082522     Biso  1.000000 S
   S30        1.0     0.920649      0.347476      0.913767     Biso  1.000000 S
   S31        1.0     0.418528      0.338637      0.584107     Biso  1.000000 S
   S32        1.0     0.578978      0.668736      0.418781     Biso  1.000000 S
   S33        1.0     0.116366      0.397876      0.202347     Biso  1.000000 S
   S34        1.0     0.880718      0.601135      0.799581     Biso  1.000000 S
   S35        1.0     0.385336      0.598553      0.703860     Biso  1.000000 S
   S36        1.0     0.617488      0.397112      0.300922     Biso  1.000000 S
   S37        1.0     0.855773      0.869355      0.450001     Biso  1.000000 S
   S38        1.0     0.150543      0.129318      0.548811     Biso  1.000000 S
   S39        1.0     0.649110      0.130010      0.949508     Biso  1.000000 S
   S40        1.0     0.353541      0.864459      0.049466     Biso  1.000000 S
   S41        1.0     0.375876      0.385150      0.802553     Biso  1.000000 S
   S42        1.0     0.612504      0.602111      0.197093     Biso  1.000000 S
   S43        1.0     0.122957      0.612688      0.300197     Biso  1.000000 S
   S44        1.0     0.885092      0.396930      0.696154     Biso  1.000000 S
   S45        1.0     0.649945      0.869634      0.552676     Biso  1.000000 S
   S46        1.0     0.352151      0.132438      0.444694     Biso  1.000000 S
   S47        1.0     0.848210      0.122205      0.054879     Biso  1.000000 S
   S48        1.0     0.146002      0.861847      0.947287     Biso  1.000000 S
   S49        1.0     0.618968      0.896343      0.699948     Biso  1.000000 S
   S50        1.0     0.381692      0.107113      0.299903     Biso  1.000000 S
   S51        1.0     0.880665      0.102574      0.198654     Biso  1.000000 S
   S52        1.0     0.126114      0.883301      0.797238     Biso  1.000000 S
   S53        1.0     0.352099      0.364043      0.951476     Biso  1.000000 S
   S54        1.0     0.634022      0.619868      0.047393     Biso  1.000000 S
   S55        1.0     0.152677      0.636827      0.454145     Biso  1.000000 S
   S56        1.0     0.867698      0.375997      0.546167     Biso  1.000000 S
   S57        1.0     0.884497      0.896579      0.300117     Biso  1.000000 S
   S58        1.0     0.118561      0.097606      0.700484     Biso  1.000000 S
   S59        1.0     0.621886      0.101696      0.801595     Biso  1.000000 S
   S60        1.0     0.383426      0.897173      0.200175     Biso  1.000000 S
   S61        1.0     0.147087      0.365764      0.054049     Biso  1.000000 S
   S62        1.0     0.847686      0.629658      0.951499     Biso  1.000000 S
   S63        1.0     0.367886      0.625976      0.551519     Biso  1.000000 S
   S64        1.0     0.659107      0.372436      0.447723     Biso  1.000000 S
   S65        1.0     0.318174      0.407865      0.304270     Biso  1.000000 S
   S66        1.0     0.674852      0.591633      0.697124     Biso  1.000000 S
   S67        1.0     0.182134      0.594043      0.802245     Biso  1.000000 S
   S68        1.0     0.821913      0.406439      0.198089     Biso  1.000000 S
   S69        1.0     0.850746      0.074076      0.552634     Biso  1.000000 S
   S70        1.0     0.153143      0.922011      0.447653     Biso  1.000000 S
   S71        1.0     0.639808      0.922782      0.053049     Biso  1.000000 S
   S72        1.0     0.338911      0.070498      0.945606     Biso  1.000000 S
   S73        1.0     0.178444      0.403947      0.695116     Biso  1.000000 S
   S74        1.0     0.815311      0.603911      0.298367     Biso  1.000000 S
   S75        1.0     0.321833      0.598004      0.196129     Biso  1.000000 S
   S76        1.0     0.681922      0.395971      0.797943     Biso  1.000000 S
   S77        1.0     0.658811      0.073322      0.449063     Biso  1.000000 S
   S78        1.0     0.354469      0.933750      0.548205     Biso  1.000000 S
   S79        1.0     0.845247      0.922487      0.954702     Biso  1.000000 S
   S80        1.0     0.153382      0.065237      0.050819     Biso  1.000000 S
   S81        1.0     0.820132      0.892956      0.805871     Biso  1.000000 S
   S82        1.0     0.179830      0.098180      0.195361     Biso  1.000000 S
   S83        1.0     0.681533      0.099922      0.305400     Biso  1.000000 S
   S84        1.0     0.328086      0.901633      0.696229     Biso  1.000000 S
   S85        1.0     0.349949      0.570772      0.051086     Biso  1.000000 S
   S86        1.0     0.657958      0.413559      0.948535     Biso  1.000000 S
   S87        1.0     0.159645      0.428970      0.551488     Biso  1.000000 S
   S88        1.0     0.851576      0.585263      0.446132     Biso  1.000000 S
   S89        1.0     0.674198      0.907183      0.200351     Biso  1.000000 S
   S90        1.0     0.318636      0.094025      0.803862     Biso  1.000000 S
   S91        1.0     0.830974      0.088822      0.703286     Biso  1.000000 S
   S92        1.0     0.179735      0.904494      0.301914     Biso  1.000000 S
   S93        1.0     0.152076      0.562896      0.948036     Biso  1.000000 S
   S94        1.0     0.845228      0.431342      0.057433     Biso  1.000000 S
   S95        1.0     0.345609      0.431323      0.443574     Biso  1.000000 S
   S96        1.0     0.654886      0.563955      0.552904     Biso  1.000000 S
   Na1        1.0     0.239901      0.476265      0.125924     Biso  1.000000 Na
   Na2        1.0     0.738030      0.530073      0.872914     Biso  1.000000 Na
   Na3        1.0     0.248043      0.552802      0.626947     Biso  1.000000 Na
   Na4        1.0     0.771769      0.467482      0.372390     Biso  1.000000 Na
   Na5        1.0     0.767987      0.978247      0.375939     Biso  1.000000 Na
   Na6        1.0     0.215379     -0.013656      0.621420     Biso  1.000000 Na
   Na7        1.0     0.766003      0.030873      0.876465     Biso  1.000000 Na
   Na8        1.0     0.271927      0.981678      0.123150     Biso  1.000000 Na
   Na9        1.0     0.303030      0.506765      0.878137     Biso  1.000000 Na
   Na10       1.0     0.754285      0.559023      0.125646     Biso  1.000000 Na
   Na11       1.0     0.191541      0.501039      0.378447     Biso  1.000000 Na
   Na12       1.0     0.745842      0.441272      0.623780     Biso  1.000000 Na
   Na13       1.0     0.718414      0.012062      0.626155     Biso  1.000000 Na
   Na14       1.0     0.271718      0.011476      0.374293     Biso  1.000000 Na
   Na15       1.0     0.779774     -0.018845      0.123557     Biso  1.000000 Na
   Na16       1.0     0.190745      0.005008      0.875076     Biso  1.000000 Na
   Na17       1.0     0.250510      0.255099      0.248124     Biso  1.000000 Na
   Na18       1.0     0.739465      0.743105      0.754580     Biso  1.000000 Na
   Na19       1.0     0.235577      0.739124      0.732295     Biso  1.000000 Na
   Na20       1.0     0.750374      0.253143      0.251827     Biso  1.000000 Na
   Na21       1.0     0.003325     -0.009852      0.504834     Biso  1.000000 Na
   Na22       1.0     0.494708      0.007509     -0.000761     Biso  1.000000 Na
   Na23       1.0     0.248127      0.244503      0.747016     Biso  1.000000 Na
   Na24       1.0     0.762193      0.743618      0.229603     Biso  1.000000 Na
   Na25       1.0     0.256599      0.750951      0.251608     Biso  1.000000 Na
   Na26       1.0     0.740268      0.251824      0.731670     Biso  1.000000 Na
   Na27       1.0     0.497760      0.054119      0.506724     Biso  1.000000 Na
   Na28       1.0    -0.005050      0.042991     -0.013729     Biso  1.000000 Na
   Na29       1.0     0.495394      0.513416     -0.019644     Biso  1.000000 Na
   Na30       1.0     0.010215      0.486675      0.484325     Biso  1.000000 Na
   Na31       1.0    -0.000052      0.462463     -0.004770     Biso  1.000000 Na
   Na32       1.0     0.506531      0.458129      0.505977     Biso  1.000000 Na
   Na33       1.0     0.499716      0.252886      0.256250     Biso  1.000000 Na
   Na34       1.0     0.491457      0.756761      0.742181     Biso  1.000000 Na
   Na35       1.0    -0.001624      0.247422      0.242549     Biso  1.000000 Na
   Na36       1.0    -0.005711      0.237423      0.504216     Biso  1.000000 Na
   Na37       1.0    -0.007177      0.739763      0.491900     Biso  1.000000 Na
   Na38       1.0     0.509762      0.760555      0.006016     Biso  1.000000 Na
   Na39       1.0    -0.009517      0.246000      0.741751     Biso  1.000000 Na
   Na40       1.0     0.512189      0.754640      0.244277     Biso  1.000000 Na
   Na41       1.0     0.505368      0.256747      0.758081     Biso  1.000000 Na
   Na42       1.0     0.491040      0.766133      0.503526     Biso  1.000000 Na
   Na43       1.0    -0.000994      0.752632      0.994632     Biso  1.000000 Na
   Na44       1.0     0.512451      0.260634      0.994785     Biso  1.000000 Na
   Na45       1.0     0.001700      0.748351      0.256250     Biso  1.000000 Na
   Na46       1.0    -0.013145      0.757221      0.755446     Biso  1.000000 Na
   Na47       1.0     0.465030      0.500108      0.249149     Biso  1.000000 Na
   Na48       1.0     0.531479      0.515746      0.770554     Biso  1.000000 Na
   Na49       1.0     0.033357      0.504507      0.745276     Biso  1.000000 Na
   Na50       1.0     0.967190      0.488394      0.267527     Biso  1.000000 Na
   Na51       1.0     0.721661      0.225468      0.520081     Biso  1.000000 Na
   Na52       1.0     0.233757      0.778346      0.524426     Biso  1.000000 Na
   Na53       1.0     0.763160      0.774200      0.021807     Biso  1.000000 Na
   Na54       1.0     0.219306      0.217237     -0.009267     Biso  1.000000 Na
   Na55       1.0     0.972435      0.012077      0.773898     Biso  1.000000 Na
   Na56       1.0     0.032874     -0.002042      0.246890     Biso  1.000000 Na
   Na57       1.0     0.532956      0.000754      0.254343     Biso  1.000000 Na
   Na58       1.0     0.470703      0.004986      0.749910     Biso  1.000000 Na
   Na59       1.0     0.257315      0.713267     -0.007336     Biso  1.000000 Na
   Na60       1.0     0.792636      0.276288     -0.006929     Biso  1.000000 Na
   Na61       1.0     0.281650      0.281657      0.505931     Biso  1.000000 Na
   Na62       1.0     0.744139      0.719589      0.500230     Biso  1.000000 Na
   Na63       1.0     0.738545      0.274776      0.873440     Biso  1.000000 Na
   Na64       1.0     0.239552      0.269426      0.622974     Biso  1.000000 Na
   Na65       1.0     0.758982      0.726391      0.374661     Biso  1.000000 Na
   Na66       1.0     0.469311      0.987538      0.629614     Biso  1.000000 Na
   Na67       1.0     0.016181      0.011105      0.120402     Biso  1.000000 Na
   Na68       1.0     0.236685      0.755320      0.865941     Biso  1.000000 Na
   Na69       1.0     0.757453      0.270808      0.120290     Biso  1.000000 Na
   Na70       1.0     0.260993      0.268742      0.379860     Biso  1.000000 Na
   Na71       1.0     0.739245      0.724511      0.622656     Biso  1.000000 Na
   Na72       1.0     0.966352      0.006943      0.636394     Biso  1.000000 Na
   Na73       1.0     0.022475      0.986368      0.371999     Biso  1.000000 Na
   Na74       1.0     0.527493      0.991525      0.130621     Biso  1.000000 Na
   Na75       1.0     0.475095      0.010207      0.871401     Biso  1.000000 Na
   Na76       1.0     0.245025      0.760512      0.383849     Biso  1.000000 Na
   Na77       1.0     0.262937      0.252558      0.870700     Biso  1.000000 Na
   Na78       1.0     0.987074      0.487958      0.130654     Biso  1.000000 Na
   Na79       1.0     0.487514      0.499140      0.375711     Biso  1.000000 Na
   Na80       1.0     0.507110      0.509838      0.632280     Biso  1.000000 Na
   Na81       1.0     0.743790      0.223658      0.387561     Biso  1.000000 Na
   Na82       1.0     0.757742      0.781824      0.889474     Biso  1.000000 Na
   Na83       1.0     0.497219      0.510083      0.118601     Biso  1.000000 Na
   Na84       1.0     0.000176      0.485789      0.616249     Biso  1.000000 Na
   Na85       1.0     0.023202      0.508140      0.868720     Biso  1.000000 Na
   Na86       1.0     0.260155      0.728409      0.119098     Biso  1.000000 Na
   Na87       1.0     0.520338      0.015863      0.377455     Biso  1.000000 Na
   Na88       1.0     0.241890      0.225756      0.116115     Biso  1.000000 Na
