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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'na88.03 p8 s96 sn16                   '
_cell_length_a                         13.81794
_cell_length_b                         13.74889
_cell_length_c                         27.59168
_cell_angle_alpha                      89.48518
_cell_angle_beta                       90.27754
_cell_angle_gamma                      88.67274
_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     0.253877      0.487987      0.259593     Biso  1.000000 Sn
   Sn2        1.0     0.756277      0.511542      0.743531     Biso  1.000000 Sn
   Sn3        1.0     0.255938      0.477413      0.755005     Biso  1.000000 Sn
   Sn4        1.0     0.748573      0.484654      0.241980     Biso  1.000000 Sn
   Sn5        1.0     0.762927      0.978250      0.504269     Biso  1.000000 Sn
   Sn6        1.0     0.258338      0.998216      0.489707     Biso  1.000000 Sn
   Sn7        1.0     0.744031      0.972875      0.005212     Biso  1.000000 Sn
   Sn8        1.0     0.257913      0.979078      0.991536     Biso  1.000000 Sn
   Sn9        1.0     0.740545      0.012614      0.753152     Biso  1.000000 Sn
   Sn10       1.0     0.230925      0.990049      0.237952     Biso  1.000000 Sn
   Sn11       1.0     0.733595      0.980482      0.258615     Biso  1.000000 Sn
   Sn12       1.0     0.238730      0.974905      0.742336     Biso  1.000000 Sn
   Sn13       1.0     0.223677      0.485646      0.006610     Biso  1.000000 Sn
   Sn14       1.0     0.724747      0.483412      0.995563     Biso  1.000000 Sn
   Sn15       1.0     0.233232      0.506321      0.508442     Biso  1.000000 Sn
   Sn16       1.0     0.739535      0.479328      0.492997     Biso  1.000000 Sn
   P1         1.0     0.504499      0.224621      0.127492     Biso  1.000000 P
   P2         1.0     0.502478      0.742475      0.873747     Biso  1.000000 P
   P3         1.0     0.990420      0.746052      0.624174     Biso  1.000000 P
   P4         1.0     0.989849      0.226053      0.368027     Biso  1.000000 P
   P5         1.0     0.990798      0.231774      0.868962     Biso  1.000000 P
   P6         1.0     0.979808      0.732111      0.126051     Biso  1.000000 P
   P7         1.0     0.499220      0.743347      0.372924     Biso  1.000000 P
   P8         1.0     0.505507      0.237191      0.625842     Biso  1.000000 P
   S1         1.0     0.535614      0.357301      0.097072     Biso  1.000000 S
   S2         1.0     0.607819      0.843229      0.887829     Biso  1.000000 S
   S3         1.0     0.896337      0.660301      0.585293     Biso  1.000000 S
   S4         1.0     0.924171      0.159529      0.425340     Biso  1.000000 S
   S5         1.0     0.887443      0.299441      0.326035     Biso  1.000000 S
   S6         1.0     0.079184      0.819710      0.576364     Biso  1.000000 S
   S7         1.0     0.377222      0.794814      0.904998     Biso  1.000000 S
   S8         1.0     0.601266      0.126210      0.098238     Biso  1.000000 S
   S9         1.0     0.968510      0.378648      0.877821     Biso  1.000000 S
   S10        1.0     0.069081      0.645173      0.168926     Biso  1.000000 S
   S11        1.0     0.590453      0.814938      0.419997     Biso  1.000000 S
   S12        1.0     0.587824      0.320181      0.671810     Biso  1.000000 S
   S13        1.0     0.596735      0.149020      0.584909     Biso  1.000000 S
   S14        1.0     0.415820      0.843031      0.333659     Biso  1.000000 S
   S15        1.0     0.894089      0.818458      0.170717     Biso  1.000000 S
   S16        1.0     0.920956      0.155851      0.923431     Biso  1.000000 S
   S17        1.0     0.072971      0.659886      0.669854     Biso  1.000000 S
   S18        1.0     0.092151      0.324521      0.389686     Biso  1.000000 S
   S19        1.0     0.371035      0.175801      0.106415     Biso  1.000000 S
   S20        1.0     0.488168      0.722791      0.800228     Biso  1.000000 S
   S21        1.0     0.544245      0.615195      0.908501     Biso  1.000000 S
   S22        1.0     0.515412      0.231392      0.201534     Biso  1.000000 S
   S23        1.0     0.054894      0.120968      0.325055     Biso  1.000000 S
   S24        1.0     0.912446      0.845978      0.664681     Biso  1.000000 S
   S25        1.0     0.411157      0.655336      0.413665     Biso  1.000000 S
   S26        1.0     0.414332      0.150958      0.664208     Biso  1.000000 S
   S27        1.0     0.135170      0.192830      0.868787     Biso  1.000000 S
   S28        1.0     0.056370      0.822628      0.080510     Biso  1.000000 S
   S29        1.0     0.894429      0.645022      0.084709     Biso  1.000000 S
   S30        1.0     0.926032      0.187229      0.805796     Biso  1.000000 S
   S31        1.0     0.427309      0.332866      0.582047     Biso  1.000000 S
   S32        1.0     0.580539      0.659735      0.326118     Biso  1.000000 S
   S33        1.0     0.154219      0.373314      0.215501     Biso  1.000000 S
   S34        1.0     0.843275      0.621044      0.795653     Biso  1.000000 S
   S35        1.0     0.347093      0.568278      0.696258     Biso  1.000000 S
   S36        1.0     0.651093      0.393432      0.297692     Biso  1.000000 S
   S37        1.0     0.862836      0.870146      0.454618     Biso  1.000000 S
   S38        1.0     0.155679      0.097767      0.541523     Biso  1.000000 S
   S39        1.0     0.645505      0.081681      0.954744     Biso  1.000000 S
   S40        1.0     0.352659      0.869378      0.042683     Biso  1.000000 S
   S41        1.0     0.364738      0.372610      0.801863     Biso  1.000000 S
   S42        1.0     0.642792      0.588294      0.191059     Biso  1.000000 S
   S43        1.0     0.154806      0.602531      0.304131     Biso  1.000000 S
   S44        1.0     0.863255      0.407985      0.695413     Biso  1.000000 S
   S45        1.0     0.658419      0.882360      0.555941     Biso  1.000000 S
   S46        1.0     0.360776      0.097649      0.440287     Biso  1.000000 S
   S47        1.0     0.845740      0.069696      0.056744     Biso  1.000000 S
   S48        1.0     0.144852      0.888895      0.942100     Biso  1.000000 S
   S49        1.0     0.643127      0.909313      0.702579     Biso  1.000000 S
   S50        1.0     0.320786      0.103728      0.285978     Biso  1.000000 S
   S51        1.0     0.828136      0.083513      0.205208     Biso  1.000000 S
   S52        1.0     0.139063      0.879267      0.796599     Biso  1.000000 S
   S53        1.0     0.318338      0.380841      0.954361     Biso  1.000000 S
   S54        1.0     0.614638      0.584057      0.044166     Biso  1.000000 S
   S55        1.0     0.136344      0.609420      0.454539     Biso  1.000000 S
   S56        1.0     0.839794      0.374646      0.545259     Biso  1.000000 S
   S57        1.0     0.841693      0.873336      0.306570     Biso  1.000000 S
   S58        1.0     0.136533      0.086447      0.695653     Biso  1.000000 S
   S59        1.0     0.646578      0.120540      0.804729     Biso  1.000000 S
   S60        1.0     0.343888      0.894287      0.190282     Biso  1.000000 S
   S61        1.0     0.117318      0.396633      0.059189     Biso  1.000000 S
   S62        1.0     0.826250      0.590308      0.948599     Biso  1.000000 S
   S63        1.0     0.339766      0.601992      0.557718     Biso  1.000000 S
   S64        1.0     0.644718      0.380115      0.439725     Biso  1.000000 S
   S65        1.0     0.353128      0.388919      0.314159     Biso  1.000000 S
   S66        1.0     0.649594      0.605771      0.690562     Biso  1.000000 S
   S67        1.0     0.163642      0.584107      0.807658     Biso  1.000000 S
   S68        1.0     0.835517      0.371558      0.189134     Biso  1.000000 S
   S69        1.0     0.865099      0.081317      0.553102     Biso  1.000000 S
   S70        1.0     0.157756      0.896899      0.439107     Biso  1.000000 S
   S71        1.0     0.638296      0.867504      0.050511     Biso  1.000000 S
   S72        1.0     0.365057      0.079227      0.944309     Biso  1.000000 S
   S73        1.0     0.142325      0.378197      0.712307     Biso  1.000000 S
   S74        1.0     0.851483      0.586012      0.290979     Biso  1.000000 S
   S75        1.0     0.355762      0.576605      0.204530     Biso  1.000000 S
   S76        1.0     0.660453      0.411304      0.796800     Biso  1.000000 S
   S77        1.0     0.660575      0.076945      0.451218     Biso  1.000000 S
   S78        1.0     0.362446      0.901668      0.543344     Biso  1.000000 S
   S79        1.0     0.851610      0.879548      0.952867     Biso  1.000000 S
   S80        1.0     0.152240      0.081916      0.039155     Biso  1.000000 S
   S81        1.0     0.846059      0.907800      0.802628     Biso  1.000000 S
   S82        1.0     0.118963      0.081188      0.184347     Biso  1.000000 S
   S83        1.0     0.639253      0.080630      0.312870     Biso  1.000000 S
   S84        1.0     0.332387      0.872887      0.688191     Biso  1.000000 S
   S85        1.0     0.330183      0.583725      0.054609     Biso  1.000000 S
   S86        1.0     0.636914      0.373593      0.943496     Biso  1.000000 S
   S87        1.0     0.128194      0.398908      0.553338     Biso  1.000000 S
   S88        1.0     0.841652      0.581989      0.444148     Biso  1.000000 S
   S89        1.0     0.625746      0.888957      0.207732     Biso  1.000000 S
   S90        1.0     0.354884      0.060356      0.792174     Biso  1.000000 S
   S91        1.0     0.837924      0.108050      0.696762     Biso  1.000000 S
   S92        1.0     0.140311      0.877882      0.288033     Biso  1.000000 S
   S93        1.0     0.120044      0.592432      0.958143     Biso  1.000000 S
   S94        1.0     0.829481      0.381731      0.046371     Biso  1.000000 S
   S95        1.0     0.333475      0.403388      0.457794     Biso  1.000000 S
   S96        1.0     0.633089      0.578272      0.543642     Biso  1.000000 S
   Na1        1.0     0.967426      0.471426      0.124265     Biso  1.000000 Na
   Na2        1.0     0.690661      0.731169      0.977762     Biso  1.000000 Na
   Na3        1.0     0.739664      0.729303      0.500380     Biso  1.000000 Na
   Na4        1.0     0.762010      0.248934      0.624563     Biso  1.000000 Na
   Na5        1.0     0.997441      0.243391      0.717781     Biso  1.000000 Na
   Na6        1.0     0.713000      0.231857      0.506807     Biso  1.000000 Na
   Na7        1.0     0.772253      0.225659      0.990190     Biso  1.000000 Na
   Na8        1.0     0.967805      0.224311      0.235933     Biso  1.000000 Na
   Na9        1.0     0.975014      0.450615      0.981051     Biso  1.000000 Na
   Na10       1.0     0.493104      0.179351      0.009812     Biso  1.000000 Na
   Na11       1.0     0.236251      0.006045      0.362789     Biso  1.000000 Na
   Na12       1.0     0.485700      0.733646      0.504343     Biso  1.000000 Na
   Na13       1.0     0.514339      0.037388      0.870738     Biso  1.000000 Na
   Na14       1.0     0.982876      0.963967      0.379756     Biso  1.000000 Na
   Na15       1.0     0.996218      0.000312      0.993963     Biso  1.000000 Na
   Na16       1.0     0.197801      0.713331      0.885482     Biso  1.000000 Na
   Na17       1.0     0.981474      0.975761      0.248188     Biso  1.000000 Na
   Na18       1.0     0.284701      0.724838      0.759841     Biso  1.000000 Na
   Na19       1.0     0.505266      0.975191      0.632136     Biso  1.000000 Na
   Na20       1.0     0.512141      0.483414      0.368664     Biso  1.000000 Na
   Na21       1.0     0.012412      0.972792      0.502268     Biso  1.000000 Na
   Na22       1.0     0.240742      0.754806      0.366363     Biso  1.000000 Na
   Na23       1.0     0.010222      0.487285      0.628038     Biso  1.000000 Na
   Na24       1.0     0.487898      0.028527      0.243728     Biso  1.000000 Na
   Na25       1.0     0.481075      0.748606      0.245014     Biso  1.000000 Na
   Na26       1.0     0.015019      0.001274      0.621552     Biso  1.000000 Na
   Na27       1.0     0.235713      0.753123      0.505556     Biso  1.000000 Na
   Na28       1.0     0.202677      0.737364      0.021712     Biso  1.000000 Na
   Na29       1.0     0.443813      0.694573      0.993921     Biso  1.000000 Na
   Na30       1.0     0.778989      0.461299      0.367729     Biso  1.000000 Na
   Na31       1.0     0.462509      0.435804      0.883943     Biso  1.000000 Na
   Na32       1.0     0.279868      0.253907      0.523065     Biso  1.000000 Na
   Na33       1.0     0.314408      0.228601      0.204078     Biso  1.000000 Na
   Na34       1.0     0.723017      0.523862      0.871332     Biso  1.000000 Na
   Na35       1.0     0.267895      0.025895      0.619843     Biso  1.000000 Na
   Na36       1.0     0.478055      0.913360      0.756988     Biso  1.000000 Na
   Na37       1.0     0.503157      0.522980      0.758693     Biso  1.000000 Na
   Na38       1.0     0.207362      0.216643      0.965605     Biso  1.000000 Na
   Na39       1.0     0.026103      0.996858      0.869468     Biso  1.000000 Na
   Na40       1.0     0.959298      0.720425      0.996938     Biso  1.000000 Na
   Na41       1.0     0.188594      0.257521      0.297558     Biso  1.000000 Na
   Na42       1.0     0.476721      0.445636      0.009223     Biso  1.000000 Na
   Na43       1.0     0.250562      0.513833      0.383448     Biso  1.000000 Na
   Na44       1.0     0.752681      0.996674      0.626738     Biso  1.000000 Na
   Na45       1.0     0.716450      0.718444      0.114109     Biso  1.000000 Na
   Na46       1.0     0.268306      0.968706      0.869258     Biso  1.000000 Na
   Na47       1.0     0.987329      0.747263      0.753002     Biso  1.000000 Na
   Na48       1.0     0.174286      0.227044      0.105271     Biso  1.000000 Na
   Na49       1.0     0.760865      0.506756      0.617984     Biso  1.000000 Na
   Na50       1.0     0.002247      0.460413      0.469124     Biso  1.000000 Na
   Na51       1.0     0.215143      0.513569      0.132377     Biso  1.000000 Na
   Na52       1.0     0.991533      0.718986      0.256755     Biso  1.000000 Na
   Na53       1.0     0.988160      0.000089      0.748011     Biso  1.000000 Na
   Na54       1.0     0.705905      0.231593      0.245848     Biso  1.000000 Na
   Na55       1.0     0.732298      0.951442      0.382244     Biso  1.000000 Na
   Na56       1.0     0.759266      0.276943      0.864608     Biso  1.000000 Na
   Na57       1.0     0.470404      0.969395      0.110792     Biso  1.000000 Na
   Na58       1.0     0.177524      0.431633      0.879662     Biso  1.000000 Na
   Na59       1.0     0.477474      0.545211      0.124264     Biso  1.000000 Na
   Na60       1.0     0.493812      0.455406      0.505108     Biso  1.000000 Na
   Na61       1.0     0.732201      0.214809      0.379842     Biso  1.000000 Na
   Na62       1.0     0.974449      0.989433      0.125360     Biso  1.000000 Na
   Na63       1.0     0.250964      0.718567      0.632137     Biso  1.000000 Na
   Na64       1.0     0.485001      0.224011      0.752835     Biso  1.000000 Na
   Na65       1.0     0.743675      0.261646      0.744350     Biso  1.000000 Na
   Na66       1.0     0.265037      0.420354      0.632408     Biso  1.000000 Na
   Na67       1.0     0.228476      0.224571      0.773185     Biso  1.000000 Na
   Na68       1.0     0.501616      0.928905      0.974422     Biso  1.000000 Na
   Na69       1.0     0.731656      0.972381      0.131611     Biso  1.000000 Na
   Na70       1.0     0.217993      0.947146      0.113432     Biso  1.000000 Na
   Na71       1.0     0.759352      0.710719      0.369555     Biso  1.000000 Na
   Na72       1.0     0.011261      0.458763      0.298244     Biso  1.000000 Na
   Na73       1.0     0.508951      0.027778      0.510142     Biso  1.000000 Na
   Na74       1.0     0.982896      0.713724      0.496372     Biso  1.000000 Na
   Na75       1.0     0.999390      0.474622      0.778941     Biso  1.000000 Na
   Na76       1.0     0.502171      0.998976      0.382737     Biso  1.000000 Na
   Na77       1.0     0.770043      0.227414      0.116499     Biso  1.000000 Na
   Na78       1.0     0.800843      0.761154      0.873683     Biso  1.000000 Na
   Na79       1.0     0.225595      0.736212      0.221850     Biso  1.000000 Na
   Na80       1.0     0.741786      0.734203      0.243211     Biso  1.000000 Na
   Na81       1.0     0.502095      0.504164      0.630341     Biso  1.000000 Na
   Na82       1.0     0.998858      0.230516      0.514503     Biso  1.000000 Na
   Na83       1.0     0.497284      0.433621      0.238050     Biso  1.000000 Na
   Na84       1.0     0.777125      0.025907      0.880053     Biso  1.000000 Na
   Na85       1.0     0.710881      0.463997      0.118112     Biso  1.000000 Na
   Na86       1.0     0.688364      0.752417      0.763444     Biso  1.000000 Na
   Na87       1.0     0.735947      0.757740      0.634986     Biso  1.000000 Na
   Na88       1.0     0.295746      0.262751      0.394600     Biso  1.000000 Na
