# generated using pymatgen
data_ZnW47S96
_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   ZnW47S96
_chemical_formula_sum   'Zn1 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
  Zn  Zn1  1  0.000001  0.749947  0.500000  1
  W  W2  1  0.086621  0.876840  0.500000  1
  W  W3  1  -0.000001  0.497491  0.500000  1
  W  W4  1  0.083251  0.621383  0.500000  1
  W  W5  1  0.169823  0.751747  0.500000  1
  W  W6  1  0.251967  0.876226  0.500000  1
  W  W7  1  0.000000  0.249080  0.500000  1
  W  W8  1  0.083437  0.373611  0.500000  1
  W  W9  1  0.166983  0.498387  0.500000  1
  W  W10  1  0.249674  0.625090  0.500000  1
  W  W11  1  0.334568  0.750571  0.500000  1
  W  W12  1  0.417255  0.875788  0.500000  1
  W  W13  1  0.000000  -0.000318  0.500000  1
  W  W14  1  0.083517  0.124596  0.500000  1
  W  W15  1  0.166893  0.249392  0.500000  1
  W  W16  1  0.250229  0.374316  0.500000  1
  W  W17  1  0.333259  0.499966  0.500000  1
  W  W18  1  0.416636  0.625275  0.500000  1
  W  W19  1  0.500000  0.750489  0.500000  1
  W  W20  1  0.582745  0.875788  0.500000  1
  W  W21  1  0.167945  0.000912  0.500000  1
  W  W22  1  0.250612  0.125341  0.500000  1
  W  W23  1  0.333605  0.250072  0.500000  1
  W  W24  1  0.416708  0.375154  0.500000  1
  W  W25  1  0.500000  0.500198  0.500000  1
  W  W26  1  0.583364  0.625275  0.500000  1
  W  W27  1  0.665433  0.750571  0.500000  1
  W  W28  1  0.748034  0.876225  0.500000  1
  W  W29  1  0.334179  0.000820  0.500000  1
  W  W30  1  0.416933  0.125564  0.500000  1
  W  W31  1  0.500000  0.250400  0.500000  1
  W  W32  1  0.583292  0.375154  0.500000  1
  W  W33  1  0.666741  0.499966  0.500000  1
  W  W34  1  0.750326  0.625089  0.500000  1
  W  W35  1  0.830175  0.751743  0.500000  1
  W  W36  1  0.913382  0.876839  0.500000  1
  W  W37  1  0.500000  0.000769  0.500000  1
  W  W38  1  0.583067  0.125564  0.500000  1
  W  W39  1  0.666395  0.250072  0.500000  1
  W  W40  1  0.749771  0.374316  0.500000  1
  W  W41  1  0.833017  0.498386  0.500000  1
  W  W42  1  0.916744  0.621381  0.500000  1
  W  W43  1  0.665822  0.000820  0.500000  1
  W  W44  1  0.749388  0.125341  0.500000  1
  W  W45  1  0.833107  0.249392  0.500000  1
  W  W46  1  0.916563  0.373611  0.500000  1
  W  W47  1  0.832056  0.000912  0.500000  1
  W  W48  1  0.916483  0.124595  0.500000  1
  S  S49  1  0.088987  0.794663  0.389183  1
  S  S50  1  0.168978  0.918342  0.388852  1
  S  S51  1  0.083738  0.538782  0.388955  1
  S  S52  1  0.165563  0.667161  0.390523  1
  S  S53  1  0.252532  0.792754  0.388934  1
  S  S54  1  0.334576  0.917691  0.388897  1
  S  S55  1  0.083414  0.290579  0.389166  1
  S  S56  1  0.166860  0.415391  0.389155  1
  S  S57  1  0.249857  0.541570  0.389381  1
  S  S58  1  0.333176  0.666820  0.389368  1
  S  S59  1  0.417277  0.792302  0.389063  1
  S  S60  1  0.500000  0.917501  0.389021  1
  S  S61  1  0.083454  0.041396  0.389281  1
  S  S62  1  0.166862  0.166272  0.389208  1
  S  S63  1  0.250157  0.291220  0.389164  1
  S  S64  1  0.333313  0.416630  0.389297  1
  S  S65  1  0.416593  0.541858  0.389399  1
  S  S66  1  0.500000  0.666955  0.389339  1
  S  S67  1  0.582724  0.792302  0.389063  1
  S  S68  1  0.665425  0.917690  0.388897  1
  S  S69  1  0.250900  0.042374  0.389031  1
  S  S70  1  0.333704  0.167007  0.389084  1
  S  S71  1  0.416736  0.291955  0.389191  1
  S  S72  1  0.500000  0.416907  0.389292  1
  S  S73  1  0.583407  0.541858  0.389399  1
  S  S74  1  0.666823  0.666820  0.389368  1
  S  S75  1  0.747468  0.792754  0.388934  1
  S  S76  1  0.831023  0.918341  0.388852  1
  S  S77  1  0.417053  0.042436  0.389019  1
  S  S78  1  0.500000  0.167244  0.389124  1
  S  S79  1  0.583265  0.291956  0.389190  1
  S  S80  1  0.666687  0.416630  0.389297  1
  S  S81  1  0.750142  0.541569  0.389381  1
  S  S82  1  0.834434  0.667160  0.390524  1
  S  S83  1  0.911016  0.794661  0.389182  1
  S  S84  1  -0.000000  0.915728  0.390397  1
  S  S85  1  0.582947  0.042436  0.389019  1
  S  S86  1  0.666296  0.167007  0.389084  1
  S  S87  1  0.749843  0.291220  0.389164  1
  S  S88  1  0.833140  0.415391  0.389155  1
  S  S89  1  0.916262  0.538781  0.388956  1
  S  S90  1  -0.000001  0.660533  0.389243  1
  S  S91  1  0.749101  0.042374  0.389031  1
  S  S92  1  0.833138  0.166272  0.389208  1
  S  S93  1  0.916585  0.290579  0.389166  1
  S  S94  1  -0.000000  0.414738  0.388967  1
  S  S95  1  0.916546  0.041396  0.389280  1
  S  S96  1  0.000000  0.165937  0.389261  1
  S  S97  1  0.088987  0.794663  0.610818  1
  S  S98  1  0.168978  0.918342  0.611148  1
  S  S99  1  0.083738  0.538782  0.611045  1
  S  S100  1  0.165563  0.667161  0.609477  1
  S  S101  1  0.252532  0.792754  0.611067  1
  S  S102  1  0.334576  0.917691  0.611103  1
  S  S103  1  0.083414  0.290579  0.610834  1
  S  S104  1  0.166860  0.415391  0.610845  1
  S  S105  1  0.249857  0.541570  0.610619  1
  S  S106  1  0.333176  0.666820  0.610632  1
  S  S107  1  0.417277  0.792302  0.610937  1
  S  S108  1  0.500000  0.917501  0.610979  1
  S  S109  1  0.083454  0.041396  0.610719  1
  S  S110  1  0.166862  0.166272  0.610792  1
  S  S111  1  0.250157  0.291220  0.610836  1
  S  S112  1  0.333313  0.416630  0.610703  1
  S  S113  1  0.416593  0.541858  0.610601  1
  S  S114  1  0.500000  0.666955  0.610661  1
  S  S115  1  0.582724  0.792302  0.610937  1
  S  S116  1  0.665425  0.917690  0.611103  1
  S  S117  1  0.250900  0.042374  0.610969  1
  S  S118  1  0.333704  0.167007  0.610916  1
  S  S119  1  0.416736  0.291955  0.610809  1
  S  S120  1  0.500000  0.416907  0.610708  1
  S  S121  1  0.583407  0.541858  0.610601  1
  S  S122  1  0.666823  0.666820  0.610632  1
  S  S123  1  0.747468  0.792754  0.611066  1
  S  S124  1  0.831023  0.918341  0.611148  1
  S  S125  1  0.417053  0.042436  0.610981  1
  S  S126  1  0.500000  0.167244  0.610876  1
  S  S127  1  0.583265  0.291956  0.610810  1
  S  S128  1  0.666687  0.416630  0.610703  1
  S  S129  1  0.750142  0.541569  0.610619  1
  S  S130  1  0.834434  0.667160  0.609476  1
  S  S131  1  0.911016  0.794661  0.610818  1
  S  S132  1  -0.000000  0.915728  0.609603  1
  S  S133  1  0.582947  0.042436  0.610981  1
  S  S134  1  0.666296  0.167007  0.610916  1
  S  S135  1  0.749843  0.291220  0.610836  1
  S  S136  1  0.833140  0.415391  0.610845  1
  S  S137  1  0.916262  0.538781  0.611044  1
  S  S138  1  -0.000001  0.660533  0.610757  1
  S  S139  1  0.749101  0.042374  0.610969  1
  S  S140  1  0.833138  0.166272  0.610792  1
  S  S141  1  0.916585  0.290579  0.610834  1
  S  S142  1  -0.000000  0.414738  0.611033  1
  S  S143  1  0.916546  0.041396  0.610720  1
  S  S144  1  0.000000  0.165937  0.610739  1
