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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'na88.03 p8 s96 sn16                   '
_cell_length_a                         14.00995
_cell_length_b                         13.98133
_cell_length_c                         27.57447
_cell_angle_alpha                      89.75465
_cell_angle_beta                       90.03217
_cell_angle_gamma                      89.99609
_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     0.200234      0.499511      0.250121     Biso  1.000000 Sn
   Sn2        1.0     0.791840      0.496768      0.748832     Biso  1.000000 Sn
   Sn3        1.0     0.288470      0.490120      0.750561     Biso  1.000000 Sn
   Sn4        1.0     0.700241      0.500830      0.250263     Biso  1.000000 Sn
   Sn5        1.0     0.751493      0.952566      0.500216     Biso  1.000000 Sn
   Sn6        1.0     0.251319      0.045602      0.499295     Biso  1.000000 Sn
   Sn7        1.0     0.745412      0.040611      0.000343     Biso  1.000000 Sn
   Sn8        1.0     0.248173      0.957569      0.998498     Biso  1.000000 Sn
   Sn9        1.0     0.706935      0.994143      0.751271     Biso  1.000000 Sn
   Sn10       1.0     0.296932      0.996744      0.250558     Biso  1.000000 Sn
   Sn11       1.0     0.797152      0.003985      0.250993     Biso  1.000000 Sn
   Sn12       1.0     0.210887      0.991698      0.751034     Biso  1.000000 Sn
   Sn13       1.0     0.239517      0.461578      0.000478     Biso  1.000000 Sn
   Sn14       1.0     0.741111      0.536313      0.000978     Biso  1.000000 Sn
   Sn15       1.0     0.263980      0.541384      0.500799     Biso  1.000000 Sn
   Sn16       1.0     0.763935      0.457147      0.500870     Biso  1.000000 Sn
   Sn17       1.0     0.503679      0.753193      0.373293     Biso  1.000000 Sn
   Sn18       1.0     0.003685      0.245936      0.373178     Biso  1.000000 Sn
   Sb1        1.0     0.501628      0.248799      0.125315     Biso  1.000000 Sb
   Sb2        1.0     0.497564      0.754171      0.874088     Biso  1.000000 Sb
   Sb3        1.0     0.996924      0.747161      0.623978     Biso  1.000000 Sb
   Sb4        1.0     0.995010      0.248589      0.874575     Biso  1.000000 Sb
   Sb5        1.0     0.000386      0.752241      0.124568     Biso  1.000000 Sb
   Sb6        1.0     0.501537      0.246332      0.625366     Biso  1.000000 Sb
   S1         1.0     0.403940      0.344758      0.175321     Biso  1.000000 S
   S2         1.0     0.608072      0.669008      0.826170     Biso  1.000000 S
   S3         1.0     0.094225      0.652513      0.675352     Biso  1.000000 S
   S4         1.0     0.889141      0.335512      0.325403     Biso  1.000000 S
   S5         1.0     0.920666      0.132398      0.424216     Biso  1.000000 S
   S6         1.0     0.079389      0.861400      0.576618     Biso  1.000000 S
   S7         1.0     0.580474      0.862884      0.924212     Biso  1.000000 S
   S8         1.0     0.419750      0.139389      0.075194     Biso  1.000000 S
   S9         1.0     0.099355      0.333059      0.822218     Biso  1.000000 S
   S10        1.0     0.904191      0.656316      0.175809     Biso  1.000000 S
   S11        1.0     0.390147      0.664304      0.324875     Biso  1.000000 S
   S12        1.0     0.598931      0.338916      0.676877     Biso  1.000000 S
   S13        1.0     0.580478      0.134330      0.575566     Biso  1.000000 S
   S14        1.0     0.419510      0.866640      0.423449     Biso  1.000000 S
   S15        1.0     0.920053      0.865006      0.075448     Biso  1.000000 S
   S16        1.0     0.090196      0.153581      0.926437     Biso  1.000000 S
   S17        1.0     0.884699      0.826858      0.673432     Biso  1.000000 S
   S18        1.0     0.113908      0.161437      0.321624     Biso  1.000000 S
   S19        1.0     0.607850      0.163963      0.176603     Biso  1.000000 S
   S20        1.0     0.394678      0.839637      0.821809     Biso  1.000000 S
   S21        1.0     0.401710      0.657032      0.924852     Biso  1.000000 S
   S22        1.0     0.589600      0.351166      0.073678     Biso  1.000000 S
   S23        1.0     0.092001      0.358691      0.422732     Biso  1.000000 S
   S24        1.0     0.916291      0.643038      0.570698     Biso  1.000000 S
   S25        1.0     0.615168      0.838261      0.322375     Biso  1.000000 S
   S26        1.0     0.391562      0.162917      0.675366     Biso  1.000000 S
   S27        1.0     0.883392      0.167593      0.825494     Biso  1.000000 S
   S28        1.0     0.110263      0.835068      0.174268     Biso  1.000000 S
   S29        1.0     0.083797      0.649770      0.071078     Biso  1.000000 S
   S30        1.0     0.910648      0.358270      0.923963     Biso  1.000000 S
   S31        1.0     0.418401      0.353746      0.574186     Biso  1.000000 S
   S32        1.0     0.590582      0.640153      0.423771     Biso  1.000000 S
   S33        1.0     0.103318      0.395064      0.200279     Biso  1.000000 S
   S34        1.0     0.888238      0.598966      0.800411     Biso  1.000000 S
   S35        1.0     0.391377      0.595606      0.703736     Biso  1.000000 S
   S36        1.0     0.601610      0.400603      0.301953     Biso  1.000000 S
   S37        1.0     0.850050      0.852356      0.448526     Biso  1.000000 S
   S38        1.0     0.147063      0.143540      0.549056     Biso  1.000000 S
   S39        1.0     0.647360      0.141879      0.948085     Biso  1.000000 S
   S40        1.0     0.351048      0.859771      0.049533     Biso  1.000000 S
   S41        1.0     0.379738      0.383796      0.801614     Biso  1.000000 S
   S42        1.0     0.603737      0.605321      0.199798     Biso  1.000000 S
   S43        1.0     0.101915      0.598914      0.301874     Biso  1.000000 S
   S44        1.0     0.892341      0.395620      0.698905     Biso  1.000000 S
   S45        1.0     0.645166      0.854394      0.549140     Biso  1.000000 S
   S46        1.0     0.350643      0.146362      0.447871     Biso  1.000000 S
   S47        1.0     0.849666      0.140845      0.049571     Biso  1.000000 S
   S48        1.0     0.146562      0.858483      0.948058     Biso  1.000000 S
   S49        1.0     0.605259      0.897875      0.698852     Biso  1.000000 S
   S50        1.0     0.398556      0.098330      0.300424     Biso  1.000000 S
   S51        1.0     0.895964      0.105867      0.199439     Biso  1.000000 S
   S52        1.0     0.115827      0.882209      0.799176     Biso  1.000000 S
   S53        1.0     0.344997      0.359280      0.953790     Biso  1.000000 S
   S54        1.0     0.632736      0.631119      0.049380     Biso  1.000000 S
   S55        1.0     0.158494      0.644263      0.453522     Biso  1.000000 S
   S56        1.0     0.872078      0.363142      0.549730     Biso  1.000000 S
   S57        1.0     0.900023      0.901816      0.300285     Biso  1.000000 S
   S58        1.0     0.105315      0.093438      0.703083     Biso  1.000000 S
   S59        1.0     0.607982      0.099585      0.800456     Biso  1.000000 S
   S60        1.0     0.396962      0.895230      0.199973     Biso  1.000000 S
   S61        1.0     0.132693      0.369558      0.050907     Biso  1.000000 S
   S62        1.0     0.842945      0.642037      0.953094     Biso  1.000000 S
   S63        1.0     0.370072      0.634749      0.550442     Biso  1.000000 S
   S64        1.0     0.658823      0.353832      0.454243     Biso  1.000000 S
   S65        1.0     0.306778      0.404053      0.300706     Biso  1.000000 S
   S66        1.0     0.685219      0.588242      0.696853     Biso  1.000000 S
   S67        1.0     0.189207      0.590574      0.802113     Biso  1.000000 S
   S68        1.0     0.800970      0.409353      0.196149     Biso  1.000000 S
   S69        1.0     0.846444      0.049749      0.553968     Biso  1.000000 S
   S70        1.0     0.158660      0.936490      0.449018     Biso  1.000000 S
   S71        1.0     0.648300      0.941884      0.053070     Biso  1.000000 S
   S72        1.0     0.339394      0.065492      0.947034     Biso  1.000000 S
   S73        1.0     0.186236      0.403176      0.694875     Biso  1.000000 S
   S74        1.0     0.805988      0.595415      0.301245     Biso  1.000000 S
   S75        1.0     0.299954      0.590919      0.195191     Biso  1.000000 S
   S76        1.0     0.690246      0.399725      0.799924     Biso  1.000000 S
   S77        1.0     0.659867      0.062425      0.449296     Biso  1.000000 S
   S78        1.0     0.345338      0.946050      0.552543     Biso  1.000000 S
   S79        1.0     0.838761      0.933635      0.950940     Biso  1.000000 S
   S80        1.0     0.151340      0.057953      0.049859     Biso  1.000000 S
   S81        1.0     0.804630      0.895259      0.803901     Biso  1.000000 S
   S82        1.0     0.196655      0.088291      0.196581     Biso  1.000000 S
   S83        1.0     0.696571      0.098452      0.305299     Biso  1.000000 S
   S84        1.0     0.314643      0.904373      0.697168     Biso  1.000000 S
   S85        1.0     0.340682      0.559699      0.052239     Biso  1.000000 S
   S86        1.0     0.652791      0.432879      0.947208     Biso  1.000000 S
   S87        1.0     0.165181      0.443689      0.554252     Biso  1.000000 S
   S88        1.0     0.851260      0.561652      0.445668     Biso  1.000000 S
   S89        1.0     0.696449      0.912019      0.197788     Biso  1.000000 S
   S90        1.0     0.304561      0.092512      0.805412     Biso  1.000000 S
   S91        1.0     0.814215      0.086324      0.701148     Biso  1.000000 S
   S92        1.0     0.195821      0.900727      0.304343     Biso  1.000000 S
   S93        1.0     0.152529      0.563994      0.944452     Biso  1.000000 S
   S94        1.0     0.842557      0.441849      0.054955     Biso  1.000000 S
   S95        1.0     0.352563      0.437515      0.446262     Biso  1.000000 S
   S96        1.0     0.665216      0.551999      0.555268     Biso  1.000000 S
   Na1        1.0     0.248174      0.441663      0.127524     Biso  1.000000 Na
   Na2        1.0     0.746927      0.534773      0.872821     Biso  1.000000 Na
   Na3        1.0     0.255878      0.556930      0.627958     Biso  1.000000 Na
   Na4        1.0     0.722303      0.478620      0.376414     Biso  1.000000 Na
   Na5        1.0     0.788329      0.983588      0.376710     Biso  1.000000 Na
   Na6        1.0     0.210506      0.001112      0.623532     Biso  1.000000 Na
   Na7        1.0     0.748709      0.032926      0.873794     Biso  1.000000 Na
   Na8        1.0     0.290632      0.998873      0.121474     Biso  1.000000 Na
   Na9        1.0     0.303936      0.498564      0.877786     Biso  1.000000 Na
   Na10       1.0     0.747366      0.558584      0.127877     Biso  1.000000 Na
   Na11       1.0     0.222874      0.519219      0.376177     Biso  1.000000 Na
   Na12       1.0     0.754263      0.434871      0.627081     Biso  1.000000 Na
   Na13       1.0     0.712439      0.995609      0.624078     Biso  1.000000 Na
   Na14       1.0     0.288065      0.014175      0.376272     Biso  1.000000 Na
   Na15       1.0     0.790850      0.001161      0.122516     Biso  1.000000 Na
   Na16       1.0     0.188464      0.999120      0.877025     Biso  1.000000 Na
   Na17       1.0     0.249444      0.254537      0.238975     Biso  1.000000 Na
   Na18       1.0     0.739756      0.745328      0.750100     Biso  1.000000 Na
   Na19       1.0     0.239372      0.739254      0.736188     Biso  1.000000 Na
   Na20       1.0     0.756081      0.255869      0.254816     Biso  1.000000 Na
   Na21       1.0     0.000924      0.001065      0.499417     Biso  1.000000 Na
   Na22       1.0     0.496623      0.007666      0.000073     Biso  1.000000 Na
   Na23       1.0     0.245531      0.243897      0.748069     Biso  1.000000 Na
   Na24       1.0     0.751656      0.745973      0.239826     Biso  1.000000 Na
   Na25       1.0     0.259931      0.746055      0.252923     Biso  1.000000 Na
   Na26       1.0     0.745569      0.251146      0.738965     Biso  1.000000 Na
   Na27       1.0     0.500135      0.997329      0.497739     Biso  1.000000 Na
   Na28       1.0     0.003286      0.004594      0.988442     Biso  1.000000 Na
   Na29       1.0     0.487907      0.509675      0.985593     Biso  1.000000 Na
   Na30       1.0     0.014204      0.495252      0.494078     Biso  1.000000 Na
   Na31       1.0     0.991560      0.504556      0.996086     Biso  1.000000 Na
   Na32       1.0     0.512455      0.504443      0.496889     Biso  1.000000 Na
   Na33       1.0     0.501940      0.249796      0.256662     Biso  1.000000 Na
   Na34       1.0     0.489068      0.755917      0.741282     Biso  1.000000 Na
   Na35       1.0     0.001158      0.249215      0.247248     Biso  1.000000 Na
   Na36       1.0     0.998423      0.244279      0.500372     Biso  1.000000 Na
   Na37       1.0     0.999291      0.748860      0.492248     Biso  1.000000 Na
   Na38       1.0     0.503867      0.760545      0.006215     Biso  1.000000 Na
   Na39       1.0     0.993121      0.244548      0.742564     Biso  1.000000 Na
   Na40       1.0     0.504778      0.752092      0.247313     Biso  1.000000 Na
   Na41       1.0     0.501104      0.252438      0.757505     Biso  1.000000 Na
   Na42       1.0     0.496006      0.754917      0.500560     Biso  1.000000 Na
   Na43       1.0     0.995003      0.757805      0.991925     Biso  1.000000 Na
   Na44       1.0     0.000301      0.249955      0.006758     Biso  1.000000 Na
   Na45       1.0     0.505601      0.259163      0.991917     Biso  1.000000 Na
   Na46       1.0     0.497864      0.251919      0.493207     Biso  1.000000 Na
   Na47       1.0     0.006201      0.752634      0.256161     Biso  1.000000 Na
   Na48       1.0     0.986915      0.752596      0.756205     Biso  1.000000 Na
   Na49       1.0     0.449911      0.505191      0.247966     Biso  1.000000 Na
   Na50       1.0     0.537827      0.508428      0.766294     Biso  1.000000 Na
   Na51       1.0     0.040686      0.500095      0.746706     Biso  1.000000 Na
   Na52       1.0     0.949799      0.495300      0.249168     Biso  1.000000 Na
   Na53       1.0     0.745136      0.205356      0.518393     Biso  1.000000 Na
   Na54       1.0     0.242849      0.791465      0.518582     Biso  1.000000 Na
   Na55       1.0     0.757469      0.788831      0.020361     Biso  1.000000 Na
   Na56       1.0     0.257906      0.211418      0.015786     Biso  1.000000 Na
   Na57       1.0     0.957833      0.005112      0.769888     Biso  1.000000 Na
   Na58       1.0     0.050597      0.007117      0.252931     Biso  1.000000 Na
   Na59       1.0     0.550619      0.994423      0.253994     Biso  1.000000 Na
   Na60       1.0     0.455928      0.003716      0.750581     Biso  1.000000 Na
   Na61       1.0     0.250595      0.709225      0.996116     Biso  1.000000 Na
   Na62       1.0     0.752219      0.291715      0.000261     Biso  1.000000 Na
   Na63       1.0     0.239851      0.296387      0.493503     Biso  1.000000 Na
   Na64       1.0     0.739860      0.702093      0.494827     Biso  1.000000 Na
   Na65       1.0     0.735011      0.283266      0.878601     Biso  1.000000 Na
   Na66       1.0     0.244429      0.282368      0.616694     Biso  1.000000 Na
   Na67       1.0     0.755726      0.729188      0.374145     Biso  1.000000 Na
   Na68       1.0     0.462074      0.986937      0.630899     Biso  1.000000 Na
   Na69       1.0     0.040745      0.012527      0.130740     Biso  1.000000 Na
   Na70       1.0     0.231092      0.749365      0.867639     Biso  1.000000 Na
   Na71       1.0     0.759405      0.274729      0.122227     Biso  1.000000 Na
   Na72       1.0     0.256220      0.268033      0.372660     Biso  1.000000 Na
   Na73       1.0     0.741216      0.712035      0.617904     Biso  1.000000 Na
   Na74       1.0     0.958158      0.005511      0.637696     Biso  1.000000 Na
   Na75       1.0     0.038468      0.994872      0.370793     Biso  1.000000 Na
   Na76       1.0     0.540411      0.987798      0.134080     Biso  1.000000 Na
   Na77       1.0     0.467518      0.011591      0.870951     Biso  1.000000 Na
   Na78       1.0     0.252013      0.777126      0.386000     Biso  1.000000 Na
   Na79       1.0     0.259441      0.241274      0.879222     Biso  1.000000 Na
   Na80       1.0     0.998115      0.486949      0.121927     Biso  1.000000 Na
   Na81       1.0     0.471307      0.500587      0.369017     Biso  1.000000 Na
   Na82       1.0     0.513836      0.509940      0.630186     Biso  1.000000 Na
   Na83       1.0     0.752311      0.221100      0.387121     Biso  1.000000 Na
   Na84       1.0     0.756880      0.787278      0.888045     Biso  1.000000 Na
   Na85       1.0     0.499977      0.515248      0.117966     Biso  1.000000 Na
   Na86       1.0     0.006287      0.481403      0.620834     Biso  1.000000 Na
   Na87       1.0     0.030127      0.506367      0.867216     Biso  1.000000 Na
   Na88       1.0     0.256751      0.720380      0.118706     Biso  1.000000 Na
   Na89       1.0     0.539327      0.004559      0.371052     Biso  1.000000 Na
   Na90       1.0     0.970579      0.499148      0.368654     Biso  1.000000 Na
