# generated using pymatgen
data_W47S96
_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   W47S96
_chemical_formula_sum   '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
  W  W1  1  0.086733  0.874477  0.499998  1
  W  W2  1  0.000000  0.497607  0.500000  1
  W  W3  1  0.081039  0.622498  0.500000  1
  W  W4  1  0.167691  0.752907  0.500000  1
  W  W5  1  0.251925  0.876154  0.500000  1
  W  W6  1  0.000000  0.248944  0.500000  1
  W  W7  1  0.083361  0.373616  0.500000  1
  W  W8  1  0.167028  0.498456  0.500000  1
  W  W9  1  0.248967  0.625505  0.500000  1
  W  W10  1  0.334603  0.750534  0.500000  1
  W  W11  1  0.417221  0.875787  0.500000  1
  W  W12  1  -0.000000  -0.001148  0.500000  1
  W  W13  1  0.083410  0.124251  0.500000  1
  W  W14  1  0.166815  0.249310  0.500000  1
  W  W15  1  0.250105  0.374380  0.500000  1
  W  W16  1  0.333036  0.500223  0.500000  1
  W  W17  1  0.416405  0.625363  0.499999  1
  W  W18  1  0.500000  0.750553  0.500000  1
  W  W19  1  0.582779  0.875787  0.500000  1
  W  W20  1  0.167842  0.000879  0.500000  1
  W  W21  1  0.250552  0.125225  0.500000  1
  W  W22  1  0.333548  0.250104  0.500000  1
  W  W23  1  0.416647  0.375298  0.500000  1
  W  W24  1  0.500000  0.500330  0.499999  1
  W  W25  1  0.583595  0.625363  0.499999  1
  W  W26  1  0.665397  0.750534  0.500000  1
  W  W27  1  0.748075  0.876154  0.500000  1
  W  W28  1  0.334164  0.000737  0.500000  1
  W  W29  1  0.416907  0.125580  0.500000  1
  W  W30  1  0.500000  0.250485  0.499999  1
  W  W31  1  0.583353  0.375298  0.499999  1
  W  W32  1  0.666964  0.500223  0.499999  1
  W  W33  1  0.751033  0.625505  0.499999  1
  W  W34  1  0.832309  0.752907  0.500000  1
  W  W35  1  0.913268  0.874477  0.499999  1
  W  W36  1  0.500000  0.000774  0.500000  1
  W  W37  1  0.583093  0.125580  0.500000  1
  W  W38  1  0.666452  0.250104  0.499999  1
  W  W39  1  0.749895  0.374380  0.499999  1
  W  W40  1  0.832972  0.498456  0.499999  1
  W  W41  1  0.918961  0.622498  0.500000  1
  W  W42  1  0.665836  0.000737  0.500000  1
  W  W43  1  0.749448  0.125225  0.500000  1
  W  W44  1  0.833185  0.249310  0.500000  1
  W  W45  1  0.916639  0.373616  0.500000  1
  W  W46  1  0.832158  0.000879  0.500000  1
  W  W47  1  0.916590  0.124251  0.500000  1
  S  S48  1  0.087624  0.793902  0.389951  1
  S  S49  1  0.168807  0.917990  0.389208  1
  S  S50  1  0.083531  0.539101  0.389306  1
  S  S51  1  0.164310  0.667800  0.390907  1
  S  S52  1  0.252220  0.792761  0.389273  1
  S  S53  1  0.334493  0.917621  0.388849  1
  S  S54  1  0.083357  0.290517  0.389202  1
  S  S55  1  0.166741  0.415436  0.389167  1
  S  S56  1  0.249522  0.541937  0.389455  1
  S  S57  1  0.332761  0.666943  0.389446  1
  S  S58  1  0.417257  0.792334  0.389081  1
  S  S59  1  0.500000  0.917507  0.389049  1
  S  S60  1  0.083274  0.040895  0.389334  1
  S  S61  1  0.166738  0.166113  0.389267  1
  S  S62  1  0.250072  0.291226  0.389206  1
  S  S63  1  0.333190  0.416812  0.389364  1
  S  S64  1  0.416485  0.541974  0.389439  1
  S  S65  1  0.500000  0.666949  0.389445  1
  S  S66  1  0.582743  0.792334  0.389081  1
  S  S67  1  0.665507  0.917621  0.388849  1
  S  S68  1  0.250878  0.042248  0.389047  1
  S  S69  1  0.333633  0.166995  0.389133  1
  S  S70  1  0.416695  0.292059  0.389241  1
  S  S71  1  0.500000  0.417032  0.389325  1
  S  S72  1  0.583515  0.541974  0.389439  1
  S  S73  1  0.667239  0.666943  0.389446  1
  S  S74  1  0.747780  0.792761  0.389273  1
  S  S75  1  0.831193  0.917990  0.389208  1
  S  S76  1  0.417040  0.042430  0.389057  1
  S  S77  1  0.500000  0.167294  0.389161  1
  S  S78  1  0.583305  0.292059  0.389241  1
  S  S79  1  0.666810  0.416811  0.389365  1
  S  S80  1  0.750478  0.541937  0.389455  1
  S  S81  1  0.835690  0.667800  0.390907  1
  S  S82  1  0.912376  0.793902  0.389953  1
  S  S83  1  -0.000000  0.914325  0.390799  1
  S  S84  1  0.582960  0.042430  0.389057  1
  S  S85  1  0.666367  0.166995  0.389133  1
  S  S86  1  0.749928  0.291226  0.389206  1
  S  S87  1  0.833259  0.415436  0.389168  1
  S  S88  1  0.916468  0.539101  0.389307  1
  S  S89  1  -0.000000  0.662091  0.390040  1
  S  S90  1  0.749122  0.042248  0.389047  1
  S  S91  1  0.833262  0.166113  0.389268  1
  S  S92  1  0.916643  0.290517  0.389202  1
  S  S93  1  -0.000000  0.414848  0.388947  1
  S  S94  1  0.916726  0.040895  0.389334  1
  S  S95  1  -0.000000  0.165728  0.389293  1
  S  S96  1  0.087623  0.793902  0.610046  1
  S  S97  1  0.168806  0.917990  0.610791  1
  S  S98  1  0.083531  0.539101  0.610694  1
  S  S99  1  0.164310  0.667801  0.609093  1
  S  S100  1  0.252219  0.792761  0.610727  1
  S  S101  1  0.334493  0.917621  0.611152  1
  S  S102  1  0.083357  0.290517  0.610798  1
  S  S103  1  0.166741  0.415436  0.610833  1
  S  S104  1  0.249522  0.541937  0.610545  1
  S  S105  1  0.332761  0.666943  0.610554  1
  S  S106  1  0.417257  0.792334  0.610920  1
  S  S107  1  0.500000  0.917507  0.610952  1
  S  S108  1  0.083274  0.040895  0.610666  1
  S  S109  1  0.166738  0.166113  0.610733  1
  S  S110  1  0.250072  0.291226  0.610794  1
  S  S111  1  0.333190  0.416811  0.610636  1
  S  S112  1  0.416485  0.541974  0.610562  1
  S  S113  1  0.500000  0.666949  0.610556  1
  S  S114  1  0.582743  0.792334  0.610920  1
  S  S115  1  0.665507  0.917621  0.611152  1
  S  S116  1  0.250878  0.042248  0.610953  1
  S  S117  1  0.333633  0.166995  0.610868  1
  S  S118  1  0.416695  0.292059  0.610759  1
  S  S119  1  0.500000  0.417032  0.610676  1
  S  S120  1  0.583515  0.541974  0.610562  1
  S  S121  1  0.667239  0.666943  0.610554  1
  S  S122  1  0.747780  0.792761  0.610727  1
  S  S123  1  0.831194  0.917990  0.610791  1
  S  S124  1  0.417040  0.042430  0.610943  1
  S  S125  1  0.500000  0.167294  0.610840  1
  S  S126  1  0.583305  0.292059  0.610760  1
  S  S127  1  0.666810  0.416811  0.610637  1
  S  S128  1  0.750478  0.541937  0.610546  1
  S  S129  1  0.835690  0.667800  0.609093  1
  S  S130  1  0.912376  0.793903  0.610047  1
  S  S131  1  0.000000  0.914325  0.609200  1
  S  S132  1  0.582960  0.042430  0.610943  1
  S  S133  1  0.666367  0.166995  0.610868  1
  S  S134  1  0.749928  0.291226  0.610795  1
  S  S135  1  0.833259  0.415436  0.610833  1
  S  S136  1  0.916469  0.539101  0.610694  1
  S  S137  1  -0.000000  0.662091  0.609960  1
  S  S138  1  0.749122  0.042248  0.610953  1
  S  S139  1  0.833262  0.166113  0.610733  1
  S  S140  1  0.916644  0.290517  0.610798  1
  S  S141  1  0.000000  0.414848  0.611054  1
  S  S142  1  0.916727  0.040895  0.610666  1
  S  S143  1  0.000000  0.165728  0.610707  1
