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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  '88.03 p8 s96 sn16                   '
_cell_length_a                         13.98041
_cell_length_b                         13.98016
_cell_length_c                         27.53837
_cell_angle_alpha                      90.00013
_cell_angle_beta                       90.00073
_cell_angle_gamma                      89.99772
_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     0.213339      0.509973      0.250610     Biso  1.000000 Sn
   Sn2        1.0     0.790322      0.497837      0.748640     Biso  1.000000 Sn
   Sn3        1.0     0.286663      0.490028      0.750610     Biso  1.000000 Sn
   Sn4        1.0     0.709683      0.502169      0.248645     Biso  1.000000 Sn
   Sn5        1.0     0.754809      0.960961      0.501461     Biso  1.000000 Sn
   Sn6        1.0     0.252076      0.040252      0.498709     Biso  1.000000 Sn
   Sn7        1.0     0.745186      0.039049      0.001463     Biso  1.000000 Sn
   Sn8        1.0     0.247923      0.959741      0.998708     Biso  1.000000 Sn
   Sn9        1.0     0.710930      0.995222      0.751469     Biso  1.000000 Sn
   Sn10       1.0     0.284978      0.008230      0.250602     Biso  1.000000 Sn
   Sn11       1.0     0.789061      0.004787      0.251470     Biso  1.000000 Sn
   Sn12       1.0     0.215024      0.991778      0.750609     Biso  1.000000 Sn
   Sn13       1.0     0.240343      0.463266      0.000560     Biso  1.000000 Sn
   Sn14       1.0     0.742143      0.535043      0.000577     Biso  1.000000 Sn
   Sn15       1.0     0.259659      0.536730      0.500557     Biso  1.000000 Sn
   Sn16       1.0     0.757862      0.464963      0.500579     Biso  1.000000 Sn
   Sb1        1.0     0.505305      0.251766      0.124449     Biso  1.000000 Sb
   Sb2        1.0     0.498378      0.755026      0.874375     Biso  1.000000 Sb
   Sb3        1.0     0.994693      0.748242      0.624452     Biso  1.000000 Sb
   Sb4        1.0     0.001595      0.244962      0.374380     Biso  1.000000 Sb
   Sb5        1.0     0.995655      0.249057      0.874590     Biso  1.000000 Sb
   Sb6        1.0     0.999176      0.754383      0.124715     Biso  1.000000 Sb
   Sb7        1.0     0.504344      0.750913      0.374587     Biso  1.000000 Sb
   Sb8        1.0     0.500841      0.245620      0.624700     Biso  1.000000 Sb
   S1         1.0     0.408585      0.348763      0.174858     Biso  1.000000 S
   S2         1.0     0.608523      0.668899      0.826293     Biso  1.000000 S
   S3         1.0     0.091412      0.651233      0.674857     Biso  1.000000 S
   S4         1.0     0.891459      0.331102      0.326297     Biso  1.000000 S
   S5         1.0     0.917956      0.136952      0.424888     Biso  1.000000 S
   S6         1.0     0.080858      0.858355      0.576352     Biso  1.000000 S
   S7         1.0     0.582024      0.863036      0.924883     Biso  1.000000 S
   S8         1.0     0.419147      0.141650      0.076347     Biso  1.000000 S
   S9         1.0     0.098644      0.334081      0.821760     Biso  1.000000 S
   S10        1.0     0.904888      0.657516      0.176066     Biso  1.000000 S
   S11        1.0     0.401348      0.665895      0.321758     Biso  1.000000 S
   S12        1.0     0.595139      0.342479      0.676052     Biso  1.000000 S
   S13        1.0     0.582581      0.133995      0.575710     Biso  1.000000 S
   S14        1.0     0.407502      0.845120      0.426014     Biso  1.000000 S
   S15        1.0     0.917420      0.866000      0.075728     Biso  1.000000 S
   S16        1.0     0.092509      0.154866      0.926020     Biso  1.000000 S
   S17        1.0     0.886839      0.832024      0.674975     Biso  1.000000 S
   S18        1.0     0.103533      0.158782      0.322044     Biso  1.000000 S
   S19        1.0     0.613174      0.167992      0.174968     Biso  1.000000 S
   S20        1.0     0.396444      0.841214      0.822040     Biso  1.000000 S
   S21        1.0     0.401422      0.658452      0.924877     Biso  1.000000 S
   S22        1.0     0.591632      0.353584      0.072124     Biso  1.000000 S
   S23        1.0     0.098564      0.341536      0.424879     Biso  1.000000 S
   S24        1.0     0.908357      0.646430      0.572127     Biso  1.000000 S
   S25        1.0     0.615991      0.832751      0.325669     Biso  1.000000 S
   S26        1.0     0.391861      0.160940      0.674657     Biso  1.000000 S
   S27        1.0     0.884006      0.167220      0.825673     Biso  1.000000 S
   S28        1.0     0.108160      0.839067      0.174666     Biso  1.000000 S
   S29        1.0     0.084345      0.651431      0.071906     Biso  1.000000 S
   S30        1.0     0.911094      0.358148      0.924551     Biso  1.000000 S
   S31        1.0     0.415668      0.348572      0.571896     Biso  1.000000 S
   S32        1.0     0.588908      0.641834      0.424554     Biso  1.000000 S
   S33        1.0     0.111181      0.404320      0.203484     Biso  1.000000 S
   S34        1.0     0.887140      0.599832      0.800519     Biso  1.000000 S
   S35        1.0     0.388820      0.595682      0.703485     Biso  1.000000 S
   S36        1.0     0.612860      0.400172      0.300522     Biso  1.000000 S
   S37        1.0     0.851934      0.859851      0.448613     Biso  1.000000 S
   S38        1.0     0.150001      0.137056      0.550565     Biso  1.000000 S
   S39        1.0     0.648057      0.140154      0.948612     Biso  1.000000 S
   S40        1.0     0.350002      0.862941      0.050565     Biso  1.000000 S
   S41        1.0     0.378674      0.384432      0.801675     Biso  1.000000 S
   S42        1.0     0.610199      0.603436      0.197863     Biso  1.000000 S
   S43        1.0     0.121330      0.615567      0.301677     Biso  1.000000 S
   S44        1.0     0.889802      0.396567      0.697859     Biso  1.000000 S
   S45        1.0     0.649060      0.860565      0.550142     Biso  1.000000 S
   S46        1.0     0.353258      0.139806      0.447927     Biso  1.000000 S
   S47        1.0     0.850939      0.139447      0.050142     Biso  1.000000 S
   S48        1.0     0.146732      0.860184      0.947928     Biso  1.000000 S
   S49        1.0     0.609811      0.898057      0.698625     Biso  1.000000 S
   S50        1.0     0.380899      0.116987      0.298726     Biso  1.000000 S
   S51        1.0     0.890183      0.101951      0.198628     Biso  1.000000 S
   S52        1.0     0.119100      0.883019      0.798729     Biso  1.000000 S
   S53        1.0     0.346003      0.361043      0.953514     Biso  1.000000 S
   S54        1.0     0.633320      0.630943      0.048685     Biso  1.000000 S
   S55        1.0     0.153995      0.638954      0.453513     Biso  1.000000 S
   S56        1.0     0.866683      0.369058      0.548687     Biso  1.000000 S
   S57        1.0     0.889448      0.899085      0.300174     Biso  1.000000 S
   S58        1.0     0.109411      0.093929      0.702898     Biso  1.000000 S
   S59        1.0     0.610547      0.100923      0.800175     Biso  1.000000 S
   S60        1.0     0.390589      0.906078      0.202895     Biso  1.000000 S
   S61        1.0     0.134618      0.371415      0.051631     Biso  1.000000 S
   S62        1.0     0.844253      0.640601      0.952841     Biso  1.000000 S
   S63        1.0     0.365386      0.628572      0.551632     Biso  1.000000 S
   S64        1.0     0.655753      0.359407      0.452839     Biso  1.000000 S
   S65        1.0     0.312733      0.408584      0.301990     Biso  1.000000 S
   S66        1.0     0.683445      0.590334      0.697287     Biso  1.000000 S
   S67        1.0     0.187261      0.591407      0.801990     Biso  1.000000 S
   S68        1.0     0.816552      0.409676      0.197289     Biso  1.000000 S
   S69        1.0     0.853650      0.057943      0.554398     Biso  1.000000 S
   S70        1.0     0.159632      0.933432      0.447311     Biso  1.000000 S
   S71        1.0     0.646353      0.942066      0.054400     Biso  1.000000 S
   S72        1.0     0.340365      0.066557      0.947310     Biso  1.000000 S
   S73        1.0     0.184957      0.402174      0.694753     Biso  1.000000 S
   S74        1.0     0.810993      0.600007      0.299499     Biso  1.000000 S
   S75        1.0     0.315046      0.597829      0.194756     Biso  1.000000 S
   S76        1.0     0.689015      0.399995      0.799492     Biso  1.000000 S
   S77        1.0     0.661419      0.068328      0.451725     Biso  1.000000 S
   S78        1.0     0.349906      0.938864      0.549532     Biso  1.000000 S
   S79        1.0     0.838571      0.931674      0.951729     Biso  1.000000 S
   S80        1.0     0.150097      0.061130      0.049530     Biso  1.000000 S
   S81        1.0     0.807933      0.896343      0.804391     Biso  1.000000 S
   S82        1.0     0.181248      0.097034      0.196808     Biso  1.000000 S
   S83        1.0     0.692057      0.103666      0.304391     Biso  1.000000 S
   S84        1.0     0.318754      0.902983      0.696814     Biso  1.000000 S
   S85        1.0     0.341612      0.562754      0.051972     Biso  1.000000 S
   S86        1.0     0.653239      0.431286      0.946825     Biso  1.000000 S
   S87        1.0     0.158392      0.437245      0.551969     Biso  1.000000 S
   S88        1.0     0.846768      0.568722      0.446830     Biso  1.000000 S
   S89        1.0     0.681683      0.911466      0.201716     Biso  1.000000 S
   S90        1.0     0.308497      0.093447      0.805037     Biso  1.000000 S
   S91        1.0     0.818310      0.088541      0.701715     Biso  1.000000 S
   S92        1.0     0.191508      0.906566      0.305034     Biso  1.000000 S
   S93        1.0     0.152472      0.564965      0.944702     Biso  1.000000 S
   S94        1.0     0.843733      0.441534      0.055012     Biso  1.000000 S
   S95        1.0     0.347525      0.435030      0.444699     Biso  1.000000 S
   S96        1.0     0.656268      0.558472      0.555010     Biso  1.000000 S
   Na1        1.0     0.250239      0.447563      0.127731     Biso  1.000000 Na
   Na2        1.0     0.745941      0.534086      0.872694     Biso  1.000000 Na
   Na3        1.0     0.249761      0.552440      0.627730     Biso  1.000000 Na
   Na4        1.0     0.754065      0.465916      0.372699     Biso  1.000000 Na
   Na5        1.0     0.749242      0.967491      0.374547     Biso  1.000000 Na
   Na6        1.0     0.215775      0.995689      0.622730     Biso  1.000000 Na
   Na7        1.0     0.750754      0.032511      0.874548     Biso  1.000000 Na
   Na8        1.0     0.284239      0.004330      0.122724     Biso  1.000000 Na
   Na9        1.0     0.302771      0.500191      0.877742     Biso  1.000000 Na
   Na10       1.0     0.750244      0.557613      0.126739     Biso  1.000000 Na
   Na11       1.0     0.197224      0.499798      0.377741     Biso  1.000000 Na
   Na12       1.0     0.749764      0.442411      0.626734     Biso  1.000000 Na
   Na13       1.0     0.717404      0.000815      0.624544     Biso  1.000000 Na
   Na14       1.0     0.307682      0.999821      0.376770     Biso  1.000000 Na
   Na15       1.0     0.782599      0.999205      0.124547     Biso  1.000000 Na
   Na16       1.0     0.192339      0.000169      0.876773     Biso  1.000000 Na
   Na17       1.0     0.261316      0.261439      0.234937     Biso  1.000000 Na
   Na18       1.0     0.740544      0.745881      0.751565     Biso  1.000000 Na
   Na19       1.0     0.238693      0.738562      0.734935     Biso  1.000000 Na
   Na20       1.0     0.759461      0.254118      0.251559     Biso  1.000000 Na
   Na21       1.0     0.004079      0.990461      0.501566     Biso  1.000000 Na
   Na22       1.0     0.495923      0.009525      0.001562     Biso  1.000000 Na
   Na23       1.0     0.244337      0.243555      0.748260     Biso  1.000000 Na
   Na24       1.0     0.756662      0.746534      0.236715     Biso  1.000000 Na
   Na25       1.0     0.255652      0.756446      0.248264     Biso  1.000000 Na
   Na26       1.0     0.743340      0.253476      0.736709     Biso  1.000000 Na
   Na27       1.0     0.496486      0.993256      0.486733     Biso  1.000000 Na
   Na28       1.0     0.003511      0.006744      0.986728     Biso  1.000000 Na
   Na29       1.0     0.488869      0.511358      0.984955     Biso  1.000000 Na
   Na30       1.0     0.011134      0.488626      0.484952     Biso  1.000000 Na
   Na31       1.0     0.993897      0.505667      0.998250     Biso  1.000000 Na
   Na32       1.0     0.506105      0.494329      0.498250     Biso  1.000000 Na
   Na33       1.0     0.512312      0.246811      0.256993     Biso  1.000000 Na
   Na34       1.0     0.489132      0.756712      0.740684     Biso  1.000000 Na
   Na35       1.0     0.010884      0.243281      0.240679     Biso  1.000000 Na
   Na36       1.0     0.996646      0.237654      0.506978     Biso  1.000000 Na
   Na37       1.0     0.992975      0.739054      0.490769     Biso  1.000000 Na
   Na38       1.0     0.503348      0.762335      0.006975     Biso  1.000000 Na
   Na39       1.0     0.990767      0.244460      0.741906     Biso  1.000000 Na
   Na40       1.0     0.509215      0.755527      0.241903     Biso  1.000000 Na
   Na41       1.0     0.499549      0.252232      0.757272     Biso  1.000000 Na
   Na42       1.0     0.497647      0.749451      0.507241     Biso  1.000000 Na
   Na43       1.0     0.994652      0.759236      0.991988     Biso  1.000000 Na
   Na44       1.0     0.002347      0.250551      0.007239     Biso  1.000000 Na
   Na45       1.0     0.507013      0.260928      0.990774     Biso  1.000000 Na
   Na46       1.0     0.505351      0.240766      0.491968     Biso  1.000000 Na
   Na47       1.0     0.000448      0.747769      0.257284     Biso  1.000000 Na
   Na48       1.0     0.987706      0.753176      0.756993     Biso  1.000000 Na
   Na49       1.0     0.461396      0.499769      0.245914     Biso  1.000000 Na
   Na50       1.0     0.536307      0.508722      0.765593     Biso  1.000000 Na
   Na51       1.0     0.038605      0.500222      0.745911     Biso  1.000000 Na
   Na52       1.0     0.963693      0.491278      0.265591     Biso  1.000000 Na
   Na53       1.0     0.744252      0.211732      0.519942     Biso  1.000000 Na
   Na54       1.0     0.241076      0.786264      0.515645     Biso  1.000000 Na
   Na55       1.0     0.755751      0.788271      0.019951     Biso  1.000000 Na
   Na56       1.0     0.258916      0.213730      0.015637     Biso  1.000000 Na
   Na57       1.0     0.961790      0.005569      0.769921     Biso  1.000000 Na
   Na58       1.0     0.040137      0.995886      0.249627     Biso  1.000000 Na
   Na59       1.0     0.538203      0.994413      0.269939     Biso  1.000000 Na
   Na60       1.0     0.459862      0.004117      0.749632     Biso  1.000000 Na
   Na61       1.0     0.250406      0.711373      0.995937     Biso  1.000000 Na
   Na62       1.0     0.754297      0.290162      0.999619     Biso  1.000000 Na
   Na63       1.0     0.249593      0.288621      0.495935     Biso  1.000000 Na
   Na64       1.0     0.745700      0.709847      0.499624     Biso  1.000000 Na
   Na65       1.0     0.735211      0.282227      0.877535     Biso  1.000000 Na
   Na66       1.0     0.242446      0.277795      0.617898     Biso  1.000000 Na
   Na67       1.0     0.764787      0.717764      0.377543     Biso  1.000000 Na
   Na68       1.0     0.467710      0.985150      0.627549     Biso  1.000000 Na
   Na69       1.0     0.032303      0.014850      0.127549     Biso  1.000000 Na
   Na70       1.0     0.231963      0.750589      0.867068     Biso  1.000000 Na
   Na71       1.0     0.763187      0.278728      0.121449     Biso  1.000000 Na
   Na72       1.0     0.268018      0.249408      0.367070     Biso  1.000000 Na
   Na73       1.0     0.736809      0.721301      0.621455     Biso  1.000000 Na
   Na74       1.0     0.964077      0.007922      0.637764     Biso  1.000000 Na
   Na75       1.0     0.028894      0.987071      0.371415     Biso  1.000000 Na
   Na76       1.0     0.535930      0.992094      0.137767     Biso  1.000000 Na
   Na77       1.0     0.471109      0.012924      0.871418     Biso  1.000000 Na
   Na78       1.0     0.239482      0.755795      0.378309     Biso  1.000000 Na
   Na79       1.0     0.260512      0.244207      0.878305     Biso  1.000000 Na
   Na80       1.0     0.994297      0.489600      0.128292     Biso  1.000000 Na
   Na81       1.0     0.471974      0.492597      0.367864     Biso  1.000000 Na
   Na82       1.0     0.505712      0.510401      0.628295     Biso  1.000000 Na
   Na83       1.0     0.741963      0.214101      0.387770     Biso  1.000000 Na
   Na84       1.0     0.758022      0.785905      0.887770     Biso  1.000000 Na
   Na85       1.0     0.500749      0.518096      0.117034     Biso  1.000000 Na
   Na86       1.0     0.999251      0.481911      0.617027     Biso  1.000000 Na
   Na87       1.0     0.028029      0.507384      0.867863     Biso  1.000000 Na
   Na88       1.0     0.257573      0.722229      0.117905     Biso  1.000000 Na
