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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'na88.03 p8 s96 sn16                   '
_cell_length_a                         14.00081
_cell_length_b                         13.98644
_cell_length_c                         27.56219
_cell_angle_alpha                      90.00222
_cell_angle_beta                       90.17904
_cell_angle_gamma                      90.07337
_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     0.207450      0.506406      0.249450     Biso  1.000000 Sn
   Sn2        1.0     0.792622      0.497432      0.748970     Biso  1.000000 Sn
   Sn3        1.0     0.289102      0.490250      0.750101     Biso  1.000000 Sn
   Sn4        1.0     0.704415      0.502826      0.249382     Biso  1.000000 Sn
   Sn5        1.0     0.752444      0.955733      0.499711     Biso  1.000000 Sn
   Sn6        1.0     0.252501      0.042591      0.499663     Biso  1.000000 Sn
   Sn7        1.0     0.745653      0.041242      0.000250     Biso  1.000000 Sn
   Sn8        1.0     0.248529      0.956864      0.998956     Biso  1.000000 Sn
   Sn9        1.0     0.707941      0.994619      0.750886     Biso  1.000000 Sn
   Sn10       1.0     0.294573      0.001604      0.251933     Biso  1.000000 Sn
   Sn11       1.0     0.795199      0.004940      0.249921     Biso  1.000000 Sn
   Sn12       1.0     0.211804      0.992152      0.751084     Biso  1.000000 Sn
   Sn13       1.0     0.240474      0.460445      0.999834     Biso  1.000000 Sn
   Sn14       1.0     0.741648      0.536645      0.000987     Biso  1.000000 Sn
   Sn15       1.0     0.261888      0.539588      0.500121     Biso  1.000000 Sn
   Sn16       1.0     0.761309      0.461693      0.501342     Biso  1.000000 Sn
   Sn17       1.0     0.505463      0.754439      0.373616     Biso  1.000000 Sn
   Sb1        1.0     0.003807      0.245340      0.374054     Biso  1.000000 Sb
   Sb2        1.0     0.501359      0.250637      0.125338     Biso  1.000000 Sb
   Sb3        1.0     0.498072      0.753816      0.874064     Biso  1.000000 Sb
   Sb4        1.0     0.995321      0.747581      0.624378     Biso  1.000000 Sb
   Sb5        1.0     0.995949      0.248233      0.874725     Biso  1.000000 Sb
   Sb6        1.0     0.998252      0.753734      0.124706     Biso  1.000000 Sb
   Sb7        1.0     0.500044      0.246277      0.625020     Biso  1.000000 Sb
   S1         1.0     0.403168      0.348302      0.174280     Biso  1.000000 S
   S2         1.0     0.608781      0.669065      0.826005     Biso  1.000000 S
   S3         1.0     0.093729      0.652456      0.674873     Biso  1.000000 S
   S4         1.0     0.890616      0.329723      0.326944     Biso  1.000000 S
   S5         1.0     0.921533      0.134971      0.423954     Biso  1.000000 S
   S6         1.0     0.078801      0.860117      0.576685     Biso  1.000000 S
   S7         1.0     0.581103      0.862511      0.924532     Biso  1.000000 S
   S8         1.0     0.419920      0.139651      0.075518     Biso  1.000000 S
   S9         1.0     0.100526      0.333515      0.822984     Biso  1.000000 S
   S10        1.0     0.901082      0.660777      0.176378     Biso  1.000000 S
   S11        1.0     0.396837      0.666600      0.321991     Biso  1.000000 S
   S12        1.0     0.597392      0.340330      0.676216     Biso  1.000000 S
   S13        1.0     0.580182      0.134607      0.575311     Biso  1.000000 S
   S14        1.0     0.416654      0.865716      0.423010     Biso  1.000000 S
   S15        1.0     0.920191      0.865275      0.074006     Biso  1.000000 S
   S16        1.0     0.091053      0.152127      0.926050     Biso  1.000000 S
   S17        1.0     0.885822      0.829457      0.674537     Biso  1.000000 S
   S18        1.0     0.107152      0.161495      0.321413     Biso  1.000000 S
   S19        1.0     0.606269      0.166791      0.177753     Biso  1.000000 S
   S20        1.0     0.395421      0.839047      0.821607     Biso  1.000000 S
   S21        1.0     0.402018      0.656692      0.924529     Biso  1.000000 S
   S22        1.0     0.590383      0.352583      0.074354     Biso  1.000000 S
   S23        1.0     0.099824      0.343129      0.424461     Biso  1.000000 S
   S24        1.0     0.911158      0.644410      0.571870     Biso  1.000000 S
   S25        1.0     0.618965      0.841550      0.324714     Biso  1.000000 S
   S26        1.0     0.391587      0.162096      0.675204     Biso  1.000000 S
   S27        1.0     0.884039      0.168377      0.824949     Biso  1.000000 S
   S28        1.0     0.108591      0.838083      0.174183     Biso  1.000000 S
   S29        1.0     0.082669      0.647767      0.073322     Biso  1.000000 S
   S30        1.0     0.911764      0.357205      0.924679     Biso  1.000000 S
   S31        1.0     0.415353      0.351569      0.573365     Biso  1.000000 S
   S32        1.0     0.587787      0.642448      0.425865     Biso  1.000000 S
   S33        1.0     0.104449      0.401097      0.202326     Biso  1.000000 S
   S34        1.0     0.889190      0.599896      0.800749     Biso  1.000000 S
   S35        1.0     0.391027      0.595717      0.703029     Biso  1.000000 S
   S36        1.0     0.608332      0.399994      0.301122     Biso  1.000000 S
   S37        1.0     0.851400      0.855504      0.448329     Biso  1.000000 S
   S38        1.0     0.150388      0.140793      0.550476     Biso  1.000000 S
   S39        1.0     0.647626      0.142295      0.947974     Biso  1.000000 S
   S40        1.0     0.350923      0.860221      0.050567     Biso  1.000000 S
   S41        1.0     0.380803      0.384276      0.800966     Biso  1.000000 S
   S42        1.0     0.605572      0.604647      0.198851     Biso  1.000000 S
   S43        1.0     0.116048      0.611312      0.300304     Biso  1.000000 S
   S44        1.0     0.892310      0.396325      0.698550     Biso  1.000000 S
   S45        1.0     0.645891      0.858821      0.548847     Biso  1.000000 S
   S46        1.0     0.354424      0.141860      0.448676     Biso  1.000000 S
   S47        1.0     0.849852      0.141372      0.049996     Biso  1.000000 S
   S48        1.0     0.146995      0.857095      0.948341     Biso  1.000000 S
   S49        1.0     0.606314      0.897689      0.698231     Biso  1.000000 S
   S50        1.0     0.395117      0.103521      0.302995     Biso  1.000000 S
   S51        1.0     0.894196      0.104847      0.197875     Biso  1.000000 S
   S52        1.0     0.116884      0.882887      0.799126     Biso  1.000000 S
   S53        1.0     0.346622      0.358923      0.953046     Biso  1.000000 S
   S54        1.0     0.632529      0.631818      0.048752     Biso  1.000000 S
   S55        1.0     0.157272      0.642439      0.452905     Biso  1.000000 S
   S56        1.0     0.869945      0.365477      0.549400     Biso  1.000000 S
   S57        1.0     0.897882      0.901836      0.298655     Biso  1.000000 S
   S58        1.0     0.106440      0.094054      0.703196     Biso  1.000000 S
   S59        1.0     0.608709      0.099724      0.800152     Biso  1.000000 S
   S60        1.0     0.395694      0.901579      0.201303     Biso  1.000000 S
   S61        1.0     0.134577      0.368034      0.050159     Biso  1.000000 S
   S62        1.0     0.843723      0.641435      0.953024     Biso  1.000000 S
   S63        1.0     0.367713      0.632556      0.550520     Biso  1.000000 S
   S64        1.0     0.659173      0.355450      0.453685     Biso  1.000000 S
   S65        1.0     0.308850      0.405202      0.300453     Biso  1.000000 S
   S66        1.0     0.685447      0.588883      0.697379     Biso  1.000000 S
   S67        1.0     0.189781      0.590517      0.801759     Biso  1.000000 S
   S68        1.0     0.811357      0.409870      0.198405     Biso  1.000000 S
   S69        1.0     0.848505      0.055095      0.552644     Biso  1.000000 S
   S70        1.0     0.157821      0.936545      0.448600     Biso  1.000000 S
   S71        1.0     0.648147      0.942676      0.052727     Biso  1.000000 S
   S72        1.0     0.339509      0.063771      0.947158     Biso  1.000000 S
   S73        1.0     0.186121      0.402628      0.694627     Biso  1.000000 S
   S74        1.0     0.806186      0.599185      0.300648     Biso  1.000000 S
   S75        1.0     0.308365      0.593213      0.193243     Biso  1.000000 S
   S76        1.0     0.691047      0.400019      0.799681     Biso  1.000000 S
   S77        1.0     0.659884      0.063711      0.448405     Biso  1.000000 S
   S78        1.0     0.346071      0.941515      0.552312     Biso  1.000000 S
   S79        1.0     0.838450      0.934392      0.950573     Biso  1.000000 S
   S80        1.0     0.151513      0.058525      0.049721     Biso  1.000000 S
   S81        1.0     0.805556      0.896640      0.803836     Biso  1.000000 S
   S82        1.0     0.192788      0.092770      0.198470     Biso  1.000000 S
   S83        1.0     0.695797      0.099355      0.304713     Biso  1.000000 S
   S84        1.0     0.315303      0.904295      0.697274     Biso  1.000000 S
   S85        1.0     0.340747      0.560266      0.051565     Biso  1.000000 S
   S86        1.0     0.653361      0.432250      0.947156     Biso  1.000000 S
   S87        1.0     0.160742      0.440658      0.551660     Biso  1.000000 S
   S88        1.0     0.848475      0.565953      0.447491     Biso  1.000000 S
   S89        1.0     0.692456      0.912707      0.197393     Biso  1.000000 S
   S90        1.0     0.306239      0.092842      0.805589     Biso  1.000000 S
   S91        1.0     0.814728      0.087209      0.700790     Biso  1.000000 S
   S92        1.0     0.194118      0.903764      0.304590     Biso  1.000000 S
   S93        1.0     0.152208      0.563193      0.944595     Biso  1.000000 S
   S94        1.0     0.841894      0.442963      0.055843     Biso  1.000000 S
   S95        1.0     0.349243      0.435886      0.444931     Biso  1.000000 S
   S96        1.0     0.660405      0.553137      0.556481     Biso  1.000000 S
   Na1        1.0     0.244085      0.447220      0.126593     Biso  1.000000 Na
   Na2        1.0     0.746438      0.535270      0.872923     Biso  1.000000 Na
   Na3        1.0     0.252988      0.554775      0.627219     Biso  1.000000 Na
   Na4        1.0     0.747451      0.468032      0.374181     Biso  1.000000 Na
   Na5        1.0     0.770634      0.966119      0.372885     Biso  1.000000 Na
   Na6        1.0     0.211406      0.998442      0.623630     Biso  1.000000 Na
   Na7        1.0     0.749929      0.034260      0.873547     Biso  1.000000 Na
   Na8        1.0     0.288012      0.001495      0.122643     Biso  1.000000 Na
   Na9        1.0     0.303398      0.497564      0.877378     Biso  1.000000 Na
   Na10       1.0     0.745778      0.559635      0.127627     Biso  1.000000 Na
   Na11       1.0     0.201848      0.506493      0.376568     Biso  1.000000 Na
   Na12       1.0     0.752868      0.437747      0.627223     Biso  1.000000 Na
   Na13       1.0     0.713326      0.998452      0.623576     Biso  1.000000 Na
   Na14       1.0     0.290649      0.005216      0.378224     Biso  1.000000 Na
   Na15       1.0     0.789228      0.999806      0.121911     Biso  1.000000 Na
   Na16       1.0     0.190408      0.997770      0.877116     Biso  1.000000 Na
   Na17       1.0     0.250450      0.264317      0.233131     Biso  1.000000 Na
   Na18       1.0     0.741923      0.745469      0.750614     Biso  1.000000 Na
   Na19       1.0     0.240538      0.738912      0.735883     Biso  1.000000 Na
   Na20       1.0     0.747887      0.256473      0.252522     Biso  1.000000 Na
   Na21       1.0     0.001894      0.990489      0.501663     Biso  1.000000 Na
   Na22       1.0     0.497244      0.008572      0.999819     Biso  1.000000 Na
   Na23       1.0     0.246419      0.244528      0.748715     Biso  1.000000 Na
   Na24       1.0     0.751961      0.749598      0.241099     Biso  1.000000 Na
   Na25       1.0     0.258977      0.748115      0.252105     Biso  1.000000 Na
   Na26       1.0     0.746437      0.252853      0.737814     Biso  1.000000 Na
   Na27       1.0     0.499977      0.997998      0.497657     Biso  1.000000 Na
   Na28       1.0     0.004759      0.002039      0.987337     Biso  1.000000 Na
   Na29       1.0     0.489088      0.510598      0.985648     Biso  1.000000 Na
   Na30       1.0     0.013833      0.489759      0.484912     Biso  1.000000 Na
   Na31       1.0     0.994293      0.502001      0.998964     Biso  1.000000 Na
   Na32       1.0     0.509646      0.505111      0.496125     Biso  1.000000 Na
   Na33       1.0     0.497308      0.255029      0.257169     Biso  1.000000 Na
   Na34       1.0     0.491277      0.754848      0.741242     Biso  1.000000 Na
   Na35       1.0     0.999439      0.249528      0.243290     Biso  1.000000 Na
   Na36       1.0     0.998589      0.239217      0.505732     Biso  1.000000 Na
   Na37       1.0     0.991165      0.735691      0.490130     Biso  1.000000 Na
   Na38       1.0     0.503473      0.761132      0.006358     Biso  1.000000 Na
   Na39       1.0     0.994448      0.246175      0.742601     Biso  1.000000 Na
   Na40       1.0     0.507788      0.755650      0.246377     Biso  1.000000 Na
   Na41       1.0     0.502057      0.252233      0.757319     Biso  1.000000 Na
   Na42       1.0     0.492204      0.756707      0.501502     Biso  1.000000 Na
   Na43       1.0     0.997481      0.753379      0.992390     Biso  1.000000 Na
   Na44       1.0     0.002151      0.247120      0.006824     Biso  1.000000 Na
   Na45       1.0     0.507672      0.261048      0.991688     Biso  1.000000 Na
   Na46       1.0     0.500932      0.251804      0.492662     Biso  1.000000 Na
   Na47       1.0     0.003045      0.749448      0.255935     Biso  1.000000 Na
   Na48       1.0     0.988997      0.752361      0.756302     Biso  1.000000 Na
   Na49       1.0     0.454650      0.507789      0.248922     Biso  1.000000 Na
   Na50       1.0     0.538496      0.508019      0.765402     Biso  1.000000 Na
   Na51       1.0     0.041139      0.501285      0.745799     Biso  1.000000 Na
   Na52       1.0     0.958506      0.492972      0.266017     Biso  1.000000 Na
   Na53       1.0     0.742538      0.210653      0.520039     Biso  1.000000 Na
   Na54       1.0     0.239258      0.789374      0.517035     Biso  1.000000 Na
   Na55       1.0     0.757008      0.789240      0.019168     Biso  1.000000 Na
   Na56       1.0     0.258884      0.211251      0.015124     Biso  1.000000 Na
   Na57       1.0     0.958915      0.005508      0.769489     Biso  1.000000 Na
   Na58       1.0     0.047045      0.999273      0.249204     Biso  1.000000 Na
   Na59       1.0     0.548782      0.998515      0.254321     Biso  1.000000 Na
   Na60       1.0     0.456999      0.002738      0.750754     Biso  1.000000 Na
   Na61       1.0     0.251495      0.708292      0.996023     Biso  1.000000 Na
   Na62       1.0     0.753983      0.292125      0.000180     Biso  1.000000 Na
   Na63       1.0     0.249802      0.291529      0.496738     Biso  1.000000 Na
   Na64       1.0     0.736528      0.704214      0.496619     Biso  1.000000 Na
   Na65       1.0     0.735806      0.283895      0.878358     Biso  1.000000 Na
   Na66       1.0     0.242800      0.279806      0.618104     Biso  1.000000 Na
   Na67       1.0     0.755508      0.717106      0.377723     Biso  1.000000 Na
   Na68       1.0     0.462551      0.986005      0.630814     Biso  1.000000 Na
   Na69       1.0     0.036884      0.013317      0.128242     Biso  1.000000 Na
   Na70       1.0     0.232088      0.748231      0.867590     Biso  1.000000 Na
   Na71       1.0     0.760952      0.278194      0.122516     Biso  1.000000 Na
   Na72       1.0     0.268126      0.257861      0.369800     Biso  1.000000 Na
   Na73       1.0     0.739045      0.714715      0.619464     Biso  1.000000 Na
   Na74       1.0     0.959300      0.006678      0.637696     Biso  1.000000 Na
   Na75       1.0     0.033842      0.987640      0.370038     Biso  1.000000 Na
   Na76       1.0     0.538903      0.990492      0.133494     Biso  1.000000 Na
   Na77       1.0     0.469074      0.011297      0.871044     Biso  1.000000 Na
   Na78       1.0     0.251587      0.764999      0.381785     Biso  1.000000 Na
   Na79       1.0     0.259858      0.240142      0.879365     Biso  1.000000 Na
   Na80       1.0     0.986466      0.491086      0.130151     Biso  1.000000 Na
   Na81       1.0     0.472460      0.502113      0.369186     Biso  1.000000 Na
   Na82       1.0     0.510547      0.510254      0.628773     Biso  1.000000 Na
   Na83       1.0     0.746609      0.214790      0.387845     Biso  1.000000 Na
   Na84       1.0     0.757707      0.787583      0.887642     Biso  1.000000 Na
   Na85       1.0     0.495739      0.516594      0.118996     Biso  1.000000 Na
   Na86       1.0     0.002025      0.481254      0.617294     Biso  1.000000 Na
   Na87       1.0     0.028658      0.506211      0.867895     Biso  1.000000 Na
   Na88       1.0     0.255638      0.721866      0.118629     Biso  1.000000 Na
   Na89       1.0     0.533182      0.006634      0.371974     Biso  1.000000 Na
