# generated using pymatgen
data_W47S96I
_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   W47S96I
_chemical_formula_sum   'W47 S96 I1'
_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  0.086059  0.878016  0.500000  1
  W  W2  1  0.000000  0.498152  0.500000  1
  W  W3  1  0.084945  0.621430  0.500000  1
  W  W4  1  0.170850  0.750513  0.500000  1
  W  W5  1  0.251599  0.875946  0.500000  1
  W  W6  1  -0.000000  0.249509  0.500001  1
  W  W7  1  0.083519  0.374041  0.500001  1
  W  W8  1  0.166736  0.498816  0.500000  1
  W  W9  1  0.250056  0.624924  0.500000  1
  W  W10  1  0.334202  0.750519  0.500000  1
  W  W11  1  0.417205  0.875458  0.500000  1
  W  W12  1  -0.000000  0.000122  0.500000  1
  W  W13  1  0.083540  0.124956  0.500001  1
  W  W14  1  0.166894  0.249584  0.500001  1
  W  W15  1  0.250331  0.374536  0.500000  1
  W  W16  1  0.333431  0.499816  0.500000  1
  W  W17  1  0.416785  0.625073  0.500000  1
  W  W18  1  0.500000  0.750116  0.500000  1
  W  W19  1  0.582795  0.875458  0.500000  1
  W  W20  1  0.167798  0.000590  0.500000  1
  W  W21  1  0.250368  0.125359  0.500000  1
  W  W22  1  0.333589  0.250042  0.500000  1
  W  W23  1  0.416669  0.375015  0.500000  1
  W  W24  1  0.500000  0.500076  0.500000  1
  W  W25  1  0.583215  0.625073  0.500000  1
  W  W26  1  0.665798  0.750519  0.500000  1
  W  W27  1  0.748401  0.875946  0.500000  1
  W  W28  1  0.333981  0.000634  0.500000  1
  W  W29  1  0.416964  0.125436  0.500000  1
  W  W30  1  0.500000  0.250118  0.500000  1
  W  W31  1  0.583331  0.375015  0.500000  1
  W  W32  1  0.666569  0.499816  0.500000  1
  W  W33  1  0.749944  0.624924  0.500000  1
  W  W34  1  0.829150  0.750513  0.500000  1
  W  W35  1  0.913941  0.878016  0.500000  1
  W  W36  1  0.500000  0.000433  0.500000  1
  W  W37  1  0.583036  0.125436  0.500000  1
  W  W38  1  0.666411  0.250042  0.500000  1
  W  W39  1  0.749669  0.374536  0.500000  1
  W  W40  1  0.833264  0.498816  0.500000  1
  W  W41  1  0.915055  0.621430  0.500000  1
  W  W42  1  0.666019  0.000634  0.500000  1
  W  W43  1  0.749632  0.125359  0.500000  1
  W  W44  1  0.833106  0.249584  0.500000  1
  W  W45  1  0.916481  0.374041  0.500001  1
  W  W46  1  0.832202  0.000590  0.500000  1
  W  W47  1  0.916460  0.124956  0.500000  1
  S  S48  1  0.091991  0.796096  0.383197  1
  S  S49  1  0.168802  0.918010  0.388630  1
  S  S50  1  0.083538  0.539310  0.388699  1
  S  S51  1  0.166465  0.666716  0.390088  1
  S  S52  1  0.252184  0.792677  0.388604  1
  S  S53  1  0.334480  0.917458  0.389106  1
  S  S54  1  0.083446  0.290951  0.389299  1
  S  S55  1  0.166959  0.415729  0.389313  1
  S  S56  1  0.250043  0.541438  0.389482  1
  S  S57  1  0.333457  0.666724  0.389436  1
  S  S58  1  0.417201  0.791997  0.389247  1
  S  S59  1  0.500000  0.917200  0.389113  1
  S  S60  1  0.083535  0.041708  0.389418  1
  S  S61  1  0.166830  0.166517  0.389262  1
  S  S62  1  0.250193  0.291366  0.389312  1
  S  S63  1  0.333423  0.416560  0.389339  1
  S  S64  1  0.416676  0.541697  0.389422  1
  S  S65  1  0.500000  0.666722  0.389353  1
  S  S66  1  0.582799  0.791997  0.389247  1
  S  S67  1  0.665520  0.917458  0.389106  1
  S  S68  1  0.250730  0.042301  0.389232  1
  S  S69  1  0.333618  0.166897  0.389277  1
  S  S70  1  0.416793  0.291775  0.389308  1
  S  S71  1  0.500000  0.416745  0.389417  1
  S  S72  1  0.583324  0.541697  0.389422  1
  S  S73  1  0.666543  0.666724  0.389436  1
  S  S74  1  0.747816  0.792677  0.388604  1
  S  S75  1  0.831198  0.918010  0.388630  1
  S  S76  1  0.417028  0.042217  0.389222  1
  S  S77  1  0.500000  0.167018  0.389158  1
  S  S78  1  0.583207  0.291775  0.389308  1
  S  S79  1  0.666577  0.416560  0.389339  1
  S  S80  1  0.749957  0.541438  0.389481  1
  S  S81  1  0.833535  0.666716  0.390088  1
  S  S82  1  0.908009  0.796096  0.383197  1
  S  S83  1  0.000000  0.916528  0.390114  1
  S  S84  1  0.582972  0.042217  0.389222  1
  S  S85  1  0.666382  0.166897  0.389277  1
  S  S86  1  0.749807  0.291366  0.389312  1
  S  S87  1  0.833041  0.415729  0.389313  1
  S  S88  1  0.916462  0.539310  0.388699  1
  S  S89  1  0.000000  0.657914  0.383372  1
  S  S90  1  0.749270  0.042301  0.389232  1
  S  S91  1  0.833170  0.166517  0.389262  1
  S  S92  1  0.916554  0.290951  0.389299  1
  S  S93  1  -0.000000  0.415164  0.389194  1
  S  S94  1  0.916465  0.041708  0.389418  1
  S  S95  1  -0.000000  0.166356  0.389390  1
  S  S96  1  0.091991  0.796096  0.616803  1
  S  S97  1  0.168802  0.918010  0.611370  1
  S  S98  1  0.083538  0.539310  0.611301  1
  S  S99  1  0.166465  0.666716  0.609911  1
  S  S100  1  0.252184  0.792677  0.611396  1
  S  S101  1  0.334480  0.917458  0.610894  1
  S  S102  1  0.083446  0.290951  0.610701  1
  S  S103  1  0.166959  0.415729  0.610686  1
  S  S104  1  0.250043  0.541438  0.610520  1
  S  S105  1  0.333457  0.666724  0.610564  1
  S  S106  1  0.417201  0.791997  0.610753  1
  S  S107  1  0.500000  0.917200  0.610887  1
  S  S108  1  0.083535  0.041708  0.610582  1
  S  S109  1  0.166830  0.166517  0.610737  1
  S  S110  1  0.250193  0.291366  0.610688  1
  S  S111  1  0.333423  0.416560  0.610661  1
  S  S112  1  0.416676  0.541697  0.610578  1
  S  S113  1  0.500000  0.666722  0.610647  1
  S  S114  1  0.582799  0.791997  0.610753  1
  S  S115  1  0.665520  0.917458  0.610894  1
  S  S116  1  0.250730  0.042301  0.610768  1
  S  S117  1  0.333618  0.166897  0.610723  1
  S  S118  1  0.416793  0.291775  0.610692  1
  S  S119  1  0.500000  0.416745  0.610583  1
  S  S120  1  0.583324  0.541697  0.610578  1
  S  S121  1  0.666543  0.666724  0.610564  1
  S  S122  1  0.747816  0.792677  0.611396  1
  S  S123  1  0.831198  0.918010  0.611370  1
  S  S124  1  0.417028  0.042217  0.610778  1
  S  S125  1  0.500000  0.167018  0.610842  1
  S  S126  1  0.583207  0.291775  0.610692  1
  S  S127  1  0.666577  0.416560  0.610661  1
  S  S128  1  0.749957  0.541438  0.610520  1
  S  S129  1  0.833535  0.666716  0.609911  1
  S  S130  1  0.908009  0.796096  0.616803  1
  S  S131  1  -0.000000  0.916528  0.609885  1
  S  S132  1  0.582972  0.042217  0.610778  1
  S  S133  1  0.666382  0.166897  0.610723  1
  S  S134  1  0.749807  0.291366  0.610688  1
  S  S135  1  0.833041  0.415729  0.610686  1
  S  S136  1  0.916462  0.539310  0.611301  1
  S  S137  1  -0.000000  0.657914  0.616628  1
  S  S138  1  0.749270  0.042301  0.610768  1
  S  S139  1  0.833170  0.166517  0.610737  1
  S  S140  1  0.916554  0.290951  0.610701  1
  S  S141  1  0.000000  0.415164  0.610806  1
  S  S142  1  0.916465  0.041708  0.610582  1
  S  S143  1  0.000000  0.166356  0.610609  1
  I  I144  1  0.000000  0.750219  0.500000  1
