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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'na88.03 p8 s96 sn16                   '
_cell_length_a                         13.80090
_cell_length_b                         13.81219
_cell_length_c                         27.29788
_cell_angle_alpha                      90.11502
_cell_angle_beta                       89.52151
_cell_angle_gamma                      89.85694
_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     0.221294      0.508156      0.251822     Biso  1.000000 Sn
   Sn2        1.0     0.780660      0.496478      0.748550     Biso  1.000000 Sn
   Sn3        1.0     0.278660      0.494652      0.747749     Biso  1.000000 Sn
   Sn4        1.0     0.718385      0.502824      0.247665     Biso  1.000000 Sn
   Sn5        1.0     0.247110      0.037898      0.499848     Biso  1.000000 Sn
   Sn6        1.0     0.745324      0.028056      0.001659     Biso  1.000000 Sn
   Sn7        1.0     0.247889      0.971309      0.998461     Biso  1.000000 Sn
   Sn8        1.0     0.725033      0.994514      0.751738     Biso  1.000000 Sn
   Sn9        1.0     0.272695      0.005420      0.250404     Biso  1.000000 Sn
   Sn10       1.0     0.775363      0.005907      0.250865     Biso  1.000000 Sn
   Sn11       1.0     0.228295      0.995603      0.750952     Biso  1.000000 Sn
   Sn12       1.0     0.242700      0.473992      0.000238     Biso  1.000000 Sn
   Sn13       1.0     0.744925      0.525164      0.999835     Biso  1.000000 Sn
   Sn14       1.0     0.752822      0.472121      0.499329     Biso  1.000000 Sn
   Sn15       1.0     0.750125      0.969894      0.498828     Biso  1.000000 Sn
   P1         1.0     0.257234      0.535184      0.497134     Biso  1.000000 P
   P2         1.0     0.509691      0.252201      0.124311     Biso  1.000000 P
   P3         1.0     0.498386      0.761342      0.874571     Biso  1.000000 P
   P4         1.0     0.993773      0.749123      0.626900     Biso  1.000000 P
   P5         1.0     0.994305      0.242103      0.374210     Biso  1.000000 P
   P6         1.0     0.998293      0.250435      0.874876     Biso  1.000000 P
   P7         1.0     0.000080      0.752331      0.125025     Biso  1.000000 P
   P8         1.0     0.500018      0.746375      0.371597     Biso  1.000000 P
   P9         1.0     0.506984      0.244920      0.626661     Biso  1.000000 P
   S1         1.0     0.421706      0.339312      0.168008     Biso  1.000000 S
   S2         1.0     0.593501      0.679356      0.832242     Biso  1.000000 S
   S3         1.0     0.075917      0.658207      0.670964     Biso  1.000000 S
   S4         1.0     0.904849      0.326797      0.331266     Biso  1.000000 S
   S5         1.0     0.911474      0.153569      0.417663     Biso  1.000000 S
   S6         1.0     0.084860      0.846297      0.592367     Biso  1.000000 S
   S7         1.0     0.576073      0.852599      0.918983     Biso  1.000000 S
   S8         1.0     0.427220      0.158556      0.082422     Biso  1.000000 S
   S9         1.0     0.088343      0.328534      0.828600     Biso  1.000000 S
   S10        1.0     0.912451      0.668115      0.169065     Biso  1.000000 S
   S11        1.0     0.409362      0.673449      0.324177     Biso  1.000000 S
   S12        1.0     0.593102      0.329891      0.670450     Biso  1.000000 S
   S13        1.0     0.585937      0.148278      0.585006     Biso  1.000000 S
   S14        1.0     0.415489      0.830001      0.418153     Biso  1.000000 S
   S15        1.0     0.923215      0.849349      0.082932     Biso  1.000000 S
   S16        1.0     0.082738      0.162861      0.918311     Biso  1.000000 S
   S17        1.0     0.897088      0.825108      0.670295     Biso  1.000000 S
   S18        1.0     0.081461      0.158375      0.329339     Biso  1.000000 S
   S19        1.0     0.600642      0.173737      0.168411     Biso  1.000000 S
   S20        1.0     0.410717      0.840841      0.829313     Biso  1.000000 S
   S21        1.0     0.411775      0.672952      0.917822     Biso  1.000000 S
   S22        1.0     0.589758      0.339711      0.078615     Biso  1.000000 S
   S23        1.0     0.082370      0.326875      0.418416     Biso  1.000000 S
   S24        1.0     0.921386      0.665388      0.577365     Biso  1.000000 S
   S25        1.0     0.596074      0.827046      0.330470     Biso  1.000000 S
   S26        1.0     0.412756      0.168193      0.671351     Biso  1.000000 S
   S27        1.0     0.902013      0.173260      0.832673     Biso  1.000000 S
   S28        1.0     0.093898      0.828685      0.169466     Biso  1.000000 S
   S29        1.0     0.077465      0.662188      0.078341     Biso  1.000000 S
   S30        1.0     0.921224      0.344044      0.919944     Biso  1.000000 S
   S31        1.0     0.428582      0.334629      0.580741     Biso  1.000000 S
   S32        1.0     0.577018      0.648366      0.413090     Biso  1.000000 S
   S33        1.0     0.119679      0.402023      0.203829     Biso  1.000000 S
   S34        1.0     0.875630      0.600964      0.801172     Biso  1.000000 S
   S35        1.0     0.382109      0.601644      0.700133     Biso  1.000000 S
   S36        1.0     0.620699      0.398152      0.299975     Biso  1.000000 S
   S37        1.0     0.843608      0.869876      0.442810     Biso  1.000000 S
   S38        1.0     0.152209      0.139667      0.554889     Biso  1.000000 S
   S39        1.0     0.648381      0.131441      0.948751     Biso  1.000000 S
   S40        1.0     0.351860      0.875121      0.050815     Biso  1.000000 S
   S41        1.0     0.371968      0.389655      0.799819     Biso  1.000000 S
   S42        1.0     0.616664      0.602320      0.196252     Biso  1.000000 S
   S43        1.0     0.125779      0.614590      0.303355     Biso  1.000000 S
   S44        1.0     0.883901      0.396006      0.697342     Biso  1.000000 S
   S45        1.0     0.646691      0.866853      0.549316     Biso  1.000000 S
   S46        1.0     0.349103      0.137422      0.447032     Biso  1.000000 S
   S47        1.0     0.854234      0.127640      0.050064     Biso  1.000000 S
   S48        1.0     0.148378      0.868939      0.947365     Biso  1.000000 S
   S49        1.0     0.622507      0.896906      0.698862     Biso  1.000000 S
   S50        1.0     0.371060      0.115160      0.297918     Biso  1.000000 S
   S51        1.0     0.879598      0.103967      0.198342     Biso  1.000000 S
   S52        1.0     0.128315      0.885278      0.797902     Biso  1.000000 S
   S53        1.0     0.349506      0.370879      0.952180     Biso  1.000000 S
   S54        1.0     0.634420      0.624434      0.047520     Biso  1.000000 S
   S55        1.0     0.167325      0.622326      0.456817     Biso  1.000000 S
   S56        1.0     0.867437      0.377037      0.546918     Biso  1.000000 S
   S57        1.0     0.873789      0.896838      0.299460     Biso  1.000000 S
   S58        1.0     0.123236      0.100103      0.703029     Biso  1.000000 S
   S59        1.0     0.625094      0.104717      0.800466     Biso  1.000000 S
   S60        1.0     0.379242      0.903304      0.200871     Biso  1.000000 S
   S61        1.0     0.136632      0.379616      0.051917     Biso  1.000000 S
   S62        1.0     0.848570      0.630908      0.951272     Biso  1.000000 S
   S63        1.0     0.349887      0.616003      0.539960     Biso  1.000000 S
   S64        1.0     0.646306      0.363965      0.454228     Biso  1.000000 S
   S65        1.0     0.320056      0.403464      0.303324     Biso  1.000000 S
   S66        1.0     0.672343      0.590941      0.697803     Biso  1.000000 S
   S67        1.0     0.177958      0.596491      0.800143     Biso  1.000000 S
   S68        1.0     0.828782      0.407853      0.197061     Biso  1.000000 S
   S69        1.0     0.861115      0.058531      0.550767     Biso  1.000000 S
   S70        1.0     0.154319      0.929297      0.448887     Biso  1.000000 S
   S71        1.0     0.642898      0.930465      0.054274     Biso  1.000000 S
   S72        1.0     0.342919      0.080509      0.947804     Biso  1.000000 S
   S73        1.0     0.177098      0.403022      0.692140     Biso  1.000000 S
   S74        1.0     0.819121      0.604061      0.298147     Biso  1.000000 S
   S75        1.0     0.323890      0.597233      0.195333     Biso  1.000000 S
   S76        1.0     0.677218      0.396480      0.799130     Biso  1.000000 S
   S77        1.0     0.651520      0.082250      0.453271     Biso  1.000000 S
   S78        1.0     0.349163      0.932336      0.548009     Biso  1.000000 S
   S79        1.0     0.841618      0.917976      0.952594     Biso  1.000000 S
   S80        1.0     0.145980      0.073914      0.049026     Biso  1.000000 S
   S81        1.0     0.821552      0.892976      0.804800     Biso  1.000000 S
   S82        1.0     0.167759      0.098189      0.197633     Biso  1.000000 S
   S83        1.0     0.675571      0.108063      0.303318     Biso  1.000000 S
   S84        1.0     0.334308      0.903454      0.697436     Biso  1.000000 S
   S85        1.0     0.345929      0.574090      0.051222     Biso  1.000000 S
   S86        1.0     0.652860      0.419787      0.946960     Biso  1.000000 S
   S87        1.0     0.171775      0.451294      0.543238     Biso  1.000000 S
   S88        1.0     0.842168      0.574081      0.444563     Biso  1.000000 S
   S89        1.0     0.666870      0.910331      0.201587     Biso  1.000000 S
   S90        1.0     0.322049      0.098582      0.805325     Biso  1.000000 S
   S91        1.0     0.835382      0.089673      0.702526     Biso  1.000000 S
   S92        1.0     0.178508      0.903054      0.305255     Biso  1.000000 S
   S93        1.0     0.152359      0.576912      0.944783     Biso  1.000000 S
   S94        1.0     0.846840      0.430811      0.054389     Biso  1.000000 S
   S95        1.0     0.334873      0.444014      0.450846     Biso  1.000000 S
   S96        1.0     0.651305      0.569866      0.554691     Biso  1.000000 S
   Na1        1.0     0.258560      0.449279      0.127185     Biso  1.000000 Na
   Na2        1.0     0.732269      0.533708      0.872428     Biso  1.000000 Na
   Na3        1.0     0.242350      0.559647      0.625044     Biso  1.000000 Na
   Na4        1.0     0.757699      0.468067      0.371498     Biso  1.000000 Na
   Na5        1.0     0.727249      0.970248      0.373846     Biso  1.000000 Na
   Na6        1.0     0.223616      0.992299      0.624440     Biso  1.000000 Na
   Na7        1.0     0.765525      0.030922      0.875539     Biso  1.000000 Na
   Na8        1.0     0.281776      0.017601      0.122587     Biso  1.000000 Na
   Na9        1.0     0.300603      0.509395      0.875978     Biso  1.000000 Na
   Na10       1.0     0.757885      0.555999      0.125242     Biso  1.000000 Na
   Na11       1.0     0.188596      0.486505      0.377218     Biso  1.000000 Na
   Na12       1.0     0.745417      0.442333      0.624875     Biso  1.000000 Na
   Na13       1.0     0.727470      0.006027      0.624670     Biso  1.000000 Na
   Na14       1.0     0.302242      0.990975      0.376970     Biso  1.000000 Na
   Na15       1.0     0.780410      0.986867      0.124895     Biso  1.000000 Na
   Na16       1.0     0.197578      0.007269      0.875827     Biso  1.000000 Na
   Na17       1.0     0.270372      0.258923      0.229917     Biso  1.000000 Na
   Na18       1.0     0.733685      0.744818      0.754787     Biso  1.000000 Na
   Na19       1.0     0.227992      0.743643      0.728832     Biso  1.000000 Na
   Na20       1.0     0.767967      0.256433      0.255611     Biso  1.000000 Na
   Na21       1.0     0.992124      0.919425      0.509142     Biso  1.000000 Na
   Na22       1.0     0.494855      0.018933      0.005099     Biso  1.000000 Na
   Na23       1.0     0.242127      0.248670      0.751722     Biso  1.000000 Na
   Na24       1.0     0.760340      0.749523      0.233452     Biso  1.000000 Na
   Na25       1.0     0.255203      0.755294      0.248769     Biso  1.000000 Na
   Na26       1.0     0.740175      0.249946      0.733977     Biso  1.000000 Na
   Na27       1.0     0.492244      0.978445      0.479316     Biso  1.000000 Na
   Na28       1.0     0.001977      0.012974      0.983199     Biso  1.000000 Na
   Na29       1.0     0.491394      0.522242      0.979506     Biso  1.000000 Na
   Na30       1.0     0.006754      0.492933      0.482372     Biso  1.000000 Na
   Na31       1.0     0.996605      0.508394      0.000335     Biso  1.000000 Na
   Na32       1.0     0.501678      0.478282      0.505029     Biso  1.000000 Na
   Na33       1.0     0.518314      0.238869      0.257207     Biso  1.000000 Na
   Na34       1.0     0.482556      0.764631      0.740990     Biso  1.000000 Na
   Na35       1.0     0.015266      0.240748      0.241598     Biso  1.000000 Na
   Na36       1.0     0.986436      0.212430      0.506618     Biso  1.000000 Na
   Na37       1.0     0.510512      0.769955      0.007331     Biso  1.000000 Na
   Na38       1.0     0.990141      0.246358      0.743249     Biso  1.000000 Na
   Na39       1.0     0.509467      0.753560      0.240681     Biso  1.000000 Na
   Na40       1.0     0.503899      0.259462      0.758034     Biso  1.000000 Na
   Na41       1.0     0.510332      0.735021      0.501300     Biso  1.000000 Na
   Na42       1.0     0.999184      0.760635      0.993164     Biso  1.000000 Na
   Na43       1.0     0.008634      0.249716      0.006759     Biso  1.000000 Na
   Na44       1.0     0.511509      0.268380      0.991101     Biso  1.000000 Na
   Na45       1.0     0.507549      0.222715      0.496467     Biso  1.000000 Na
   Na46       1.0     0.997531      0.744509      0.256834     Biso  1.000000 Na
   Na47       1.0     0.981592      0.759212      0.758137     Biso  1.000000 Na
   Na48       1.0     0.469958      0.491048      0.243136     Biso  1.000000 Na
   Na49       1.0     0.526851      0.519358      0.770586     Biso  1.000000 Na
   Na50       1.0     0.029603      0.505836      0.744909     Biso  1.000000 Na
   Na51       1.0     0.971559      0.485680      0.268985     Biso  1.000000 Na
   Na52       1.0     0.742738      0.219590      0.522477     Biso  1.000000 Na
   Na53       1.0     0.224232      0.782426      0.517628     Biso  1.000000 Na
   Na54       1.0     0.763876      0.777270      0.023671     Biso  1.000000 Na
   Na55       1.0     0.267062      0.224915      0.019706     Biso  1.000000 Na
   Na56       1.0     0.975025      0.012454      0.773460     Biso  1.000000 Na
   Na57       1.0     0.026120      0.997267      0.252982     Biso  1.000000 Na
   Na58       1.0     0.524121      0.986778      0.272150     Biso  1.000000 Na
   Na59       1.0     0.474863      0.012453      0.747555     Biso  1.000000 Na
   Na60       1.0     0.260005      0.722667      0.993323     Biso  1.000000 Na
   Na61       1.0     0.757778      0.278683      0.999869     Biso  1.000000 Na
   Na62       1.0     0.238110      0.284896      0.493274     Biso  1.000000 Na
   Na63       1.0     0.778613      0.721513      0.505366     Biso  1.000000 Na
   Na64       1.0     0.740371      0.278054      0.875382     Biso  1.000000 Na
   Na65       1.0     0.253178      0.262593      0.623596     Biso  1.000000 Na
   Na66       1.0     0.758193      0.722849      0.376459     Biso  1.000000 Na
   Na67       1.0     0.478399      0.985161      0.622025     Biso  1.000000 Na
   Na68       1.0     0.027509      0.010064      0.126300     Biso  1.000000 Na
   Na69       1.0     0.236475      0.755436      0.865410     Biso  1.000000 Na
   Na70       1.0     0.765839      0.268983      0.124460     Biso  1.000000 Na
   Na71       1.0     0.255070      0.237151      0.363785     Biso  1.000000 Na
   Na72       1.0     0.738072      0.726033      0.624279     Biso  1.000000 Na
   Na73       1.0     0.976198      0.005974      0.637287     Biso  1.000000 Na
   Na74       1.0     0.006271      0.984761      0.379604     Biso  1.000000 Na
   Na75       1.0     0.527824      0.994470      0.136498     Biso  1.000000 Na
   Na76       1.0     0.481907      0.016913      0.873649     Biso  1.000000 Na
   Na77       1.0     0.241711      0.747637      0.377398     Biso  1.000000 Na
   Na78       1.0     0.258920      0.248731      0.880994     Biso  1.000000 Na
   Na79       1.0     0.999278      0.491382      0.130517     Biso  1.000000 Na
   Na80       1.0     0.472475      0.495584      0.366877     Biso  1.000000 Na
   Na81       1.0     0.511547      0.503741      0.635184     Biso  1.000000 Na
   Na82       1.0     0.733726      0.223171      0.385818     Biso  1.000000 Na
   Na83       1.0     0.756760      0.779344      0.887139     Biso  1.000000 Na
   Na84       1.0     0.505669      0.514199      0.115240     Biso  1.000000 Na
   Na85       1.0     0.991286      0.490957      0.617744     Biso  1.000000 Na
   Na86       1.0     0.018413      0.507872      0.870685     Biso  1.000000 Na
   Na87       1.0     0.256310      0.729560      0.119174     Biso  1.000000 Na
