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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'na88.03 p8 s96 sn16                   '
_cell_length_a                         13.78678
_cell_length_b                         13.78678
_cell_length_c                         27.49046
_cell_angle_alpha                      89.29718
_cell_angle_beta                       89.29718
_cell_angle_gamma                      90.78162
_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     0.255003      0.479501      0.256541     Biso  1.000000 Sn
   Sn2        1.0     0.776713      0.505751      0.757424     Biso  1.000000 Sn
   Sn3        1.0     0.265667      0.513851      0.755645     Biso  1.000000 Sn
   Sn4        1.0     0.741038      0.530534      0.253559     Biso  1.000000 Sn
   Sn5        1.0     0.761326      0.011707      0.498999     Biso  1.000000 Sn
   Sn6        1.0     0.262913      0.989900      0.516679     Biso  1.000000 Sn
   Sn7        1.0     0.770466      0.013100      0.008197     Biso  1.000000 Sn
   Sn8        1.0     0.291843      0.985077      0.991239     Biso  1.000000 Sn
   Sn9        1.0     0.762135      0.004704      0.746595     Biso  1.000000 Sn
   Sn10       1.0     0.247491      0.981893      0.257115     Biso  1.000000 Sn
   Sn11       1.0     0.741582      0.023064      0.261463     Biso  1.000000 Sn
   Sn12       1.0     0.237806      0.017542      0.750415     Biso  1.000000 Sn
   Sn13       1.0     0.225863      0.487886      0.008016     Biso  1.000000 Sn
   Sn14       1.0     0.711288      0.501388      0.993945     Biso  1.000000 Sn
   Sn15       1.0     0.280247      0.516452      0.503934     Biso  1.000000 Sn
   Sn16       1.0     0.790198      0.482401      0.509403     Biso  1.000000 Sn
   P1         1.0     0.505942      0.255521      0.130733     Biso  1.000000 P
   P2         1.0     0.528803      0.763502      0.872351     Biso  1.000000 P
   P3         1.0     0.977871      0.774046      0.629136     Biso  1.000000 P
   P4         1.0     0.015794      0.247897      0.383653     Biso  1.000000 P
   P5         1.0     0.998882      0.250548      0.870717     Biso  1.000000 P
   P6         1.0     0.982889      0.751734      0.138328     Biso  1.000000 P
   P7         1.0     0.528475      0.749040      0.379716     Biso  1.000000 P
   P8         1.0     0.541316      0.270896      0.629274     Biso  1.000000 P
   S1         1.0     0.566278      0.365111      0.176364     Biso  1.000000 S
   S2         1.0     0.480502      0.861465      0.821875     Biso  1.000000 S
   S3         1.0     0.075539      0.697534      0.671973     Biso  1.000000 S
   S4         1.0     0.933538      0.316263      0.332768     Biso  1.000000 S
   S5         1.0     0.923732      0.146638      0.416436     Biso  1.000000 S
   S6         1.0     0.068559      0.852220      0.585249     Biso  1.000000 S
   S7         1.0     0.585899      0.837612      0.932842     Biso  1.000000 S
   S8         1.0     0.613417      0.198102      0.083140     Biso  1.000000 S
   S9         1.0     0.100744      0.351754      0.834020     Biso  1.000000 S
   S10        1.0     0.053052      0.676746      0.191275     Biso  1.000000 S
   S11        1.0     0.602252      0.659443      0.432739     Biso  1.000000 S
   S12        1.0     0.634797      0.373328      0.650364     Biso  1.000000 S
   S13        1.0     0.604595      0.170105      0.580870     Biso  1.000000 S
   S14        1.0     0.434329      0.846896      0.417311     Biso  1.000000 S
   S15        1.0     0.892616      0.654387      0.099484     Biso  1.000000 S
   S16        1.0     0.076849      0.126235      0.898565     Biso  1.000000 S
   S17        1.0     0.904244      0.870692      0.675671     Biso  1.000000 S
   S18        1.0     0.138585      0.178667      0.353468     Biso  1.000000 S
   S19        1.0     0.405209      0.327943      0.083683     Biso  1.000000 S
   S20        1.0     0.421514      0.685644      0.900007     Biso  1.000000 S
   S21        1.0     0.640295      0.687697      0.835609     Biso  1.000000 S
   S22        1.0     0.415753      0.153515      0.164746     Biso  1.000000 S
   S23        1.0     0.076422      0.333507      0.432887     Biso  1.000000 S
   S24        1.0     0.912639      0.672272      0.582892     Biso  1.000000 S
   S25        1.0     0.464600      0.666929      0.330651     Biso  1.000000 S
   S26        1.0     0.460853      0.190784      0.680656     Biso  1.000000 S
   S27        1.0     0.903474      0.192150      0.820619     Biso  1.000000 S
   S28        1.0     0.908956      0.864981      0.157076     Biso  1.000000 S
   S29        1.0     0.094271      0.779570      0.089069     Biso  1.000000 S
   S30        1.0     0.925899      0.318202      0.924548     Biso  1.000000 S
   S31        1.0     0.426928      0.315200      0.585460     Biso  1.000000 S
   S32        1.0     0.639554      0.807626      0.336982     Biso  1.000000 S
   S33        1.0     0.142317      0.405443      0.191328     Biso  1.000000 S
   S34        1.0     0.872586      0.613924      0.804704     Biso  1.000000 S
   S35        1.0     0.362343      0.619501      0.700920     Biso  1.000000 S
   S36        1.0     0.655083      0.423846      0.316105     Biso  1.000000 S
   S37        1.0     0.854994      0.906042      0.451598     Biso  1.000000 S
   S38        1.0     0.175529      0.113008      0.560814     Biso  1.000000 S
   S39        1.0     0.684856      0.120373      0.950603     Biso  1.000000 S
   S40        1.0     0.366111      0.866277      0.044603     Biso  1.000000 S
   S41        1.0     0.385537      0.405040      0.796952     Biso  1.000000 S
   S42        1.0     0.661185      0.651657      0.207770     Biso  1.000000 S
   S43        1.0     0.163599      0.583228      0.311495     Biso  1.000000 S
   S44        1.0     0.861598      0.403143      0.701064     Biso  1.000000 S
   S45        1.0     0.647139      0.906126      0.551041     Biso  1.000000 S
   S46        1.0     0.354002      0.106905      0.461840     Biso  1.000000 S
   S47        1.0     0.890659      0.108119      0.053428     Biso  1.000000 S
   S48        1.0     0.171782      0.910325      0.947237     Biso  1.000000 S
   S49        1.0     0.648096      0.888052      0.696817     Biso  1.000000 S
   S50        1.0     0.373199      0.016226      0.318373     Biso  1.000000 S
   S51        1.0     0.839988      0.130606      0.215761     Biso  1.000000 S
   S52        1.0     0.144948      0.906435      0.800122     Biso  1.000000 S
   S53        1.0     0.324966      0.389138      0.950019     Biso  1.000000 S
   S54        1.0     0.603481      0.618463      0.040987     Biso  1.000000 S
   S55        1.0     0.168195      0.619927      0.459324     Biso  1.000000 S
   S56        1.0     0.889898      0.392277      0.562125     Biso  1.000000 S
   S57        1.0     0.860682      0.922648      0.301173     Biso  1.000000 S
   S58        1.0     0.135994      0.111908      0.699582     Biso  1.000000 S
   S59        1.0     0.657675      0.114588      0.791891     Biso  1.000000 S
   S60        1.0     0.339119      0.863503      0.206096     Biso  1.000000 S
   S61        1.0     0.122175      0.378536      0.051389     Biso  1.000000 S
   S62        1.0     0.819250      0.610626      0.943483     Biso  1.000000 S
   S63        1.0     0.376339      0.632823      0.554833     Biso  1.000000 S
   S64        1.0     0.700265      0.378156      0.455871     Biso  1.000000 S
   S65        1.0     0.365647      0.396222      0.307247     Biso  1.000000 S
   S66        1.0     0.666731      0.605364      0.704646     Biso  1.000000 S
   S67        1.0     0.172486      0.604442      0.811646     Biso  1.000000 S
   S68        1.0     0.841075      0.434835      0.194254     Biso  1.000000 S
   S69        1.0     0.862138      0.104167      0.552112     Biso  1.000000 S
   S70        1.0     0.168648      0.899266      0.458270     Biso  1.000000 S
   S71        1.0     0.677188      0.908613      0.063189     Biso  1.000000 S
   S72        1.0     0.401582      0.095821      0.948125     Biso  1.000000 S
   S73        1.0     0.172510      0.423525      0.700251     Biso  1.000000 S
   S74        1.0     0.851059      0.629053      0.300307     Biso  1.000000 S
   S75        1.0     0.349198      0.569604      0.200979     Biso  1.000000 S
   S76        1.0     0.636406      0.416147      0.804205     Biso  1.000000 S
   S77        1.0     0.659526      0.102985      0.447068     Biso  1.000000 S
   S78        1.0     0.358512      0.889451      0.564937     Biso  1.000000 S
   S79        1.0     0.854547      0.905539      0.961525     Biso  1.000000 S
   S80        1.0     0.208125      0.093512      0.049870     Biso  1.000000 S
   S81        1.0     0.844886      0.911478      0.801435     Biso  1.000000 S
   S82        1.0     0.170985      0.077442      0.193822     Biso  1.000000 S
   S83        1.0     0.665093      0.119145      0.322450     Biso  1.000000 S
   S84        1.0     0.354506      0.914451      0.704550     Biso  1.000000 S
   S85        1.0     0.315799      0.611426      0.049671     Biso  1.000000 S
   S86        1.0     0.631516      0.404825      0.931549     Biso  1.000000 S
   S87        1.0     0.178126      0.423662      0.558472     Biso  1.000000 S
   S88        1.0     0.885372      0.577132      0.452163     Biso  1.000000 S
   S89        1.0     0.637471      0.926938      0.212879     Biso  1.000000 S
   S90        1.0     0.337814      0.122581      0.807893     Biso  1.000000 S
   S91        1.0     0.825778      0.122002      0.684587     Biso  1.000000 S
   S92        1.0     0.136502      0.878892      0.309039     Biso  1.000000 S
   S93        1.0     0.098913      0.590473      0.967356     Biso  1.000000 S
   S94        1.0     0.807620      0.393789      0.042897     Biso  1.000000 S
   S95        1.0     0.385361      0.421449      0.447131     Biso  1.000000 S
   S96        1.0     0.678626      0.580984      0.551048     Biso  1.000000 S
   Na1        1.0     0.217472      0.771878      0.729869     Biso  1.000000 Na
   Na2        1.0     0.719082      0.771724      0.993422     Biso  1.000000 Na
   Na3        1.0     0.014763      0.496221      0.633610     Biso  1.000000 Na
   Na4        1.0     0.527039      0.776225      0.251978     Biso  1.000000 Na
   Na5        1.0     0.707187      0.498772      0.127238     Biso  1.000000 Na
   Na6        1.0     0.901476      0.265765      0.489619     Biso  1.000000 Na
   Na7        1.0     0.040724      0.996607      0.052395     Biso  1.000000 Na
   Na8        1.0     0.277899      0.748549      0.280577     Biso  1.000000 Na
   Na9        1.0     0.011866      0.500695      0.745142     Biso  1.000000 Na
   Na10       1.0     0.740310      0.310051      0.251848     Biso  1.000000 Na
   Na11       1.0     0.498479      0.059559      0.386998     Biso  1.000000 Na
   Na12       1.0     0.531337      0.998143      0.616544     Biso  1.000000 Na
   Na13       1.0     0.514448      0.236861      0.494929     Biso  1.000000 Na
   Na14       1.0     0.737511      0.967126      0.376260     Biso  1.000000 Na
   Na15       1.0     0.547524      0.019866      0.869629     Biso  1.000000 Na
   Na16       1.0     0.721476      0.270582      0.747140     Biso  1.000000 Na
   Na17       1.0     0.274142      0.002674      0.878501     Biso  1.000000 Na
   Na18       1.0     0.497635      0.244992      0.773108     Biso  1.000000 Na
   Na19       1.0     0.985588      0.270771      0.729097     Biso  1.000000 Na
   Na20       1.0     0.285083      0.455727      0.124550     Biso  1.000000 Na
   Na21       1.0     0.753817      0.975505      0.625196     Biso  1.000000 Na
   Na22       1.0     0.794034      0.785753      0.874039     Biso  1.000000 Na
   Na23       1.0     0.059563      0.527894      0.389331     Biso  1.000000 Na
   Na24       1.0     0.045802      0.744261      0.278550     Biso  1.000000 Na
   Na25       1.0     0.797078      0.748806      0.390775     Biso  1.000000 Na
   Na26       1.0     0.545925      0.733908      0.745315     Biso  1.000000 Na
   Na27       1.0     0.500238      0.994471      0.515479     Biso  1.000000 Na
   Na28       1.0     0.254684      0.245172      0.884880     Biso  1.000000 Na
   Na29       1.0     0.512942      0.500504      0.252954     Biso  1.000000 Na
   Na30       1.0     0.034444      0.495952      0.516061     Biso  1.000000 Na
   Na31       1.0     0.303904      0.234232      0.018557     Biso  1.000000 Na
   Na32       1.0     0.545296      0.490656      0.390218     Biso  1.000000 Na
   Na33       1.0     0.776014      0.990252      0.139448     Biso  1.000000 Na
   Na34       1.0     0.764642      0.752849      0.758657     Biso  1.000000 Na
   Na35       1.0     0.036561      0.741895      0.491045     Biso  1.000000 Na
   Na36       1.0     0.696883      0.735834      0.618202     Biso  1.000000 Na
   Na37       1.0     0.462784      0.497502      0.013482     Biso  1.000000 Na
   Na38       1.0     0.955446      0.757962      0.022961     Biso  1.000000 Na
   Na39       1.0     0.256733      0.481719      0.882956     Biso  1.000000 Na
   Na40       1.0     0.999198      0.521320      0.246787     Biso  1.000000 Na
   Na41       1.0     0.044699      0.228777      0.257630     Biso  1.000000 Na
   Na42       1.0     0.805875      0.241191      0.002904     Biso  1.000000 Na
   Na43       1.0     0.005650      0.991292      0.368302     Biso  1.000000 Na
   Na44       1.0     0.523748      0.485135      0.865730     Biso  1.000000 Na
   Na45       1.0     0.511171      0.057293      0.248945     Biso  1.000000 Na
   Na46       1.0     0.212886      0.274084      0.756567     Biso  1.000000 Na
   Na47       1.0     0.751778      0.253773      0.877656     Biso  1.000000 Na
   Na48       1.0     0.395784      0.291946      0.231694     Biso  1.000000 Na
   Na49       1.0     0.785591      0.512826      0.624846     Biso  1.000000 Na
   Na50       1.0     0.277467      0.215548      0.633279     Biso  1.000000 Na
   Na51       1.0     0.711060      0.717420      0.113307     Biso  1.000000 Na
   Na52       1.0     0.752184      0.512643      0.870892     Biso  1.000000 Na
   Na53       1.0     0.993794      0.060944      0.639101     Biso  1.000000 Na
   Na54       1.0     0.217702      0.219239      0.130910     Biso  1.000000 Na
   Na55       1.0     0.526641      0.737131      0.513460     Biso  1.000000 Na
   Na56       1.0     0.178675      0.752738      0.001654     Biso  1.000000 Na
   Na57       1.0     0.296717      0.288268      0.379288     Biso  1.000000 Na
   Na58       1.0     0.535593      0.231641      0.983807     Biso  1.000000 Na
   Na59       1.0     0.039102      0.020261      0.502059     Biso  1.000000 Na
   Na60       1.0     0.801762      0.753036      0.505428     Biso  1.000000 Na
   Na61       1.0     0.785137      0.239222      0.128098     Biso  1.000000 Na
   Na62       1.0     0.054935      0.194625      0.991517     Biso  1.000000 Na
   Na63       1.0     0.223637      0.254731      0.508702     Biso  1.000000 Na
   Na64       1.0     0.805102      0.762150      0.231080     Biso  1.000000 Na
   Na65       1.0     0.224951      0.975199      0.627442     Biso  1.000000 Na
   Na66       1.0     0.507855      0.993841      0.741368     Biso  1.000000 Na
   Na67       1.0     0.006095      0.998102      0.244945     Biso  1.000000 Na
   Na68       1.0     0.998096      0.852877      0.760814     Biso  1.000000 Na
   Na69       1.0     0.274889      0.711916      0.141613     Biso  1.000000 Na
   Na70       1.0     0.274313      0.950965      0.390714     Biso  1.000000 Na
   Na71       1.0     0.499555      0.514608      0.741419     Biso  1.000000 Na
   Na72       1.0     0.543753      0.999867      0.127909     Biso  1.000000 Na
   Na73       1.0     0.519543      0.976587      0.998851     Biso  1.000000 Na
   Na74       1.0     0.292843      0.754500      0.842113     Biso  1.000000 Na
   Na75       1.0     0.764911      0.258869      0.597449     Biso  1.000000 Na
   Na76       1.0     0.297977      0.763105      0.488521     Biso  1.000000 Na
   Na77       1.0     0.967288      0.480101      0.131430     Biso  1.000000 Na
   Na78       1.0     0.467608      0.726415      0.006986     Biso  1.000000 Na
   Na79       1.0     0.963634      0.525216      0.014339     Biso  1.000000 Na
   Na80       1.0     0.528441      0.478411      0.517343     Biso  1.000000 Na
   Na81       1.0     0.307589      0.566893      0.380492     Biso  1.000000 Na
   Na82       1.0     0.748483      0.249405      0.373769     Biso  1.000000 Na
   Na83       1.0     0.289903      0.710204      0.618956     Biso  1.000000 Na
   Na84       1.0     0.964949      0.999038      0.860941     Biso  1.000000 Na
   Na85       1.0     0.270165      0.948300      0.119837     Biso  1.000000 Na
   Na86       1.0     0.001282      0.536071      0.884503     Biso  1.000000 Na
   Na87       1.0     0.320719      0.490743      0.622813     Biso  1.000000 Na
   Na88       1.0     0.798094      0.500675      0.369041     Biso  1.000000 Na
