# generated using pymatgen
data_SnW47S96
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.14455100
_cell_length_b   22.10622300
_cell_length_c   14.20054100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnW47S96
_chemical_formula_sum   'Sn1 W47 S96'
_cell_volume   6009.86369232
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sn  Sn1  1  0.000000  0.749775  0.500000  1
  W  W2  1  0.087216  0.879094  0.500000  1
  W  W3  1  0.000000  0.497942  0.500000  1
  W  W4  1  0.085475  0.619924  0.500000  1
  W  W5  1  0.172570  0.750891  0.500000  1
  W  W6  1  0.251750  0.876054  0.500000  1
  W  W7  1  0.000000  0.249079  0.500000  1
  W  W8  1  0.083893  0.373378  0.500000  1
  W  W9  1  0.166297  0.497901  0.500000  1
  W  W10  1  0.250306  0.624795  0.500000  1
  W  W11  1  0.334751  0.751292  0.500000  1
  W  W12  1  0.417738  0.875679  0.500000  1
  W  W13  1  0.000000  0.000251  0.500000  1
  W  W14  1  0.083162  0.124824  0.500000  1
  W  W15  1  0.166775  0.249699  0.500000  1
  W  W16  1  0.249938  0.374306  0.500000  1
  W  W17  1  0.333648  0.500051  0.500000  1
  W  W18  1  0.416651  0.624917  0.500000  1
  W  W19  1  0.500000  0.750586  0.500000  1
  W  W20  1  0.582262  0.875679  0.500000  1
  W  W21  1  0.168838  0.000691  0.500000  1
  W  W22  1  0.250832  0.125193  0.500000  1
  W  W23  1  0.333736  0.250075  0.500000  1
  W  W24  1  0.417114  0.374995  0.500000  1
  W  W25  1  0.500000  0.500198  0.500000  1
  W  W26  1  0.583349  0.624917  0.500000  1
  W  W27  1  0.665249  0.751292  0.500000  1
  W  W28  1  0.748250  0.876054  0.500000  1
  W  W29  1  0.334282  0.001264  0.500000  1
  W  W30  1  0.416778  0.125317  0.500000  1
  W  W31  1  0.500000  0.250659  0.500000  1
  W  W32  1  0.582886  0.374995  0.500000  1
  W  W33  1  0.666352  0.500051  0.500000  1
  W  W34  1  0.749695  0.624795  0.500000  1
  W  W35  1  0.827430  0.750891  0.500000  1
  W  W36  1  0.912784  0.879094  0.500000  1
  W  W37  1  0.500000  0.000740  0.500000  1
  W  W38  1  0.583222  0.125317  0.500000  1
  W  W39  1  0.666264  0.250075  0.500000  1
  W  W40  1  0.750062  0.374306  0.500000  1
  W  W41  1  0.833704  0.497901  0.500000  1
  W  W42  1  0.914525  0.619924  0.500000  1
  W  W43  1  0.665718  0.001264  0.500000  1
  W  W44  1  0.749168  0.125193  0.500000  1
  W  W45  1  0.833225  0.249699  0.500000  1
  W  W46  1  0.916107  0.373378  0.500000  1
  W  W47  1  0.831162  0.000691  0.500000  1
  W  W48  1  0.916838  0.124824  0.500000  1
  S  S49  1  0.090882  0.795536  0.387474  1
  S  S50  1  0.169610  0.918526  0.388048  1
  S  S51  1  0.083633  0.538369  0.388099  1
  S  S52  1  0.166821  0.666544  0.390635  1
  S  S53  1  0.253061  0.793109  0.388019  1
  S  S54  1  0.334821  0.917830  0.389202  1
  S  S55  1  0.083297  0.290544  0.389105  1
  S  S56  1  0.166892  0.415204  0.389017  1
  S  S57  1  0.249866  0.541154  0.389785  1
  S  S58  1  0.333597  0.667020  0.389707  1
  S  S59  1  0.417545  0.792386  0.389041  1
  S  S60  1  0.500000  0.917642  0.388949  1
  S  S61  1  0.083859  0.041582  0.389676  1
  S  S62  1  0.166865  0.166402  0.389441  1
  S  S63  1  0.250244  0.291240  0.389387  1
  S  S64  1  0.333476  0.416508  0.389563  1
  S  S65  1  0.416755  0.541718  0.389206  1
  S  S66  1  0.500000  0.666794  0.389534  1
  S  S67  1  0.582455  0.792386  0.389041  1
  S  S68  1  0.665179  0.917830  0.389202  1
  S  S69  1  0.251155  0.042534  0.388933  1
  S  S70  1  0.333724  0.166989  0.389272  1
  S  S71  1  0.416818  0.291897  0.389259  1
  S  S72  1  0.500000  0.416980  0.389195  1
  S  S73  1  0.583245  0.541718  0.389206  1
  S  S74  1  0.666403  0.667020  0.389707  1
  S  S75  1  0.746939  0.793109  0.388018  1
  S  S76  1  0.830390  0.918526  0.388048  1
  S  S77  1  0.417211  0.042396  0.388961  1
  S  S78  1  0.500000  0.167212  0.389318  1
  S  S79  1  0.583182  0.291897  0.389259  1
  S  S80  1  0.666524  0.416508  0.389563  1
  S  S81  1  0.750134  0.541154  0.389785  1
  S  S82  1  0.833179  0.666544  0.390635  1
  S  S83  1  0.909118  0.795536  0.387474  1
  S  S84  1  -0.000000  0.916822  0.390592  1
  S  S85  1  0.582789  0.042396  0.388961  1
  S  S86  1  0.666276  0.166989  0.389272  1
  S  S87  1  0.749756  0.291240  0.389387  1
  S  S88  1  0.833108  0.415204  0.389017  1
  S  S89  1  0.916367  0.538369  0.388099  1
  S  S90  1  -0.000000  0.658883  0.387446  1
  S  S91  1  0.748845  0.042534  0.388933  1
  S  S92  1  0.833135  0.166402  0.389441  1
  S  S93  1  0.916703  0.290544  0.389105  1
  S  S94  1  -0.000000  0.414593  0.389381  1
  S  S95  1  0.916141  0.041582  0.389676  1
  S  S96  1  -0.000000  0.166157  0.389046  1
  S  S97  1  0.090882  0.795536  0.612526  1
  S  S98  1  0.169610  0.918526  0.611951  1
  S  S99  1  0.083633  0.538369  0.611901  1
  S  S100  1  0.166821  0.666544  0.609365  1
  S  S101  1  0.253061  0.793109  0.611982  1
  S  S102  1  0.334821  0.917830  0.610798  1
  S  S103  1  0.083297  0.290544  0.610895  1
  S  S104  1  0.166892  0.415204  0.610983  1
  S  S105  1  0.249866  0.541154  0.610215  1
  S  S106  1  0.333597  0.667020  0.610293  1
  S  S107  1  0.417545  0.792386  0.610959  1
  S  S108  1  0.500000  0.917642  0.611050  1
  S  S109  1  0.083859  0.041582  0.610324  1
  S  S110  1  0.166865  0.166402  0.610559  1
  S  S111  1  0.250244  0.291240  0.610613  1
  S  S112  1  0.333476  0.416508  0.610437  1
  S  S113  1  0.416755  0.541718  0.610794  1
  S  S114  1  0.500000  0.666794  0.610466  1
  S  S115  1  0.582455  0.792386  0.610959  1
  S  S116  1  0.665179  0.917830  0.610798  1
  S  S117  1  0.251155  0.042534  0.611067  1
  S  S118  1  0.333724  0.166989  0.610728  1
  S  S119  1  0.416818  0.291897  0.610741  1
  S  S120  1  0.500000  0.416980  0.610805  1
  S  S121  1  0.583245  0.541718  0.610794  1
  S  S122  1  0.666403  0.667020  0.610293  1
  S  S123  1  0.746939  0.793109  0.611982  1
  S  S124  1  0.830390  0.918526  0.611952  1
  S  S125  1  0.417211  0.042396  0.611039  1
  S  S126  1  0.500000  0.167212  0.610681  1
  S  S127  1  0.583182  0.291897  0.610741  1
  S  S128  1  0.666524  0.416508  0.610437  1
  S  S129  1  0.750134  0.541154  0.610215  1
  S  S130  1  0.833179  0.666544  0.609365  1
  S  S131  1  0.909118  0.795536  0.612526  1
  S  S132  1  0.000000  0.916822  0.609408  1
  S  S133  1  0.582789  0.042396  0.611039  1
  S  S134  1  0.666276  0.166989  0.610728  1
  S  S135  1  0.749756  0.291240  0.610613  1
  S  S136  1  0.833108  0.415204  0.610983  1
  S  S137  1  0.916367  0.538369  0.611901  1
  S  S138  1  0.000000  0.658883  0.612554  1
  S  S139  1  0.748845  0.042534  0.611067  1
  S  S140  1  0.833135  0.166402  0.610559  1
  S  S141  1  0.916703  0.290544  0.610895  1
  S  S142  1  0.000000  0.414593  0.610619  1
  S  S143  1  0.916141  0.041582  0.610324  1
  S  S144  1  0.000000  0.166157  0.610953  1
