# 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  0.000000  0.750001  0.500000  1
  W  W2  1  0.086794  0.876939  0.500000  1
  W  W3  1  -0.000000  0.498235  0.500000  1
  W  W4  1  0.083496  0.621411  0.500000  1
  W  W5  1  0.170198  0.751683  0.500000  1
  W  W6  1  0.251505  0.875907  0.500000  1
  W  W7  1  0.000000  0.249430  0.500000  1
  W  W8  1  0.083499  0.373965  0.500000  1
  W  W9  1  0.166980  0.498738  0.500001  1
  W  W10  1  0.249927  0.625002  0.500001  1
  W  W11  1  0.334407  0.750419  0.500001  1
  W  W12  1  0.417210  0.875525  0.500000  1
  W  W13  1  0.000000  -0.000092  0.500000  1
  W  W14  1  0.083501  0.124807  0.500000  1
  W  W15  1  0.166855  0.249597  0.500000  1
  W  W16  1  0.250286  0.374454  0.500000  1
  W  W17  1  0.333316  0.499867  0.500001  1
  W  W18  1  0.416691  0.625089  0.500001  1
  W  W19  1  0.500000  0.750190  0.500000  1
  W  W20  1  0.582790  0.875525  0.500000  1
  W  W21  1  0.167697  0.000817  0.500000  1
  W  W22  1  0.250444  0.125362  0.500000  1
  W  W23  1  0.333590  0.250036  0.500000  1
  W  W24  1  0.416741  0.375037  0.500000  1
  W  W25  1  0.500000  0.500016  0.500000  1
  W  W26  1  0.583309  0.625089  0.500000  1
  W  W27  1  0.665593  0.750419  0.500000  1
  W  W28  1  0.748495  0.875907  0.500000  1
  W  W29  1  0.334036  0.000692  0.500000  1
  W  W30  1  0.416892  0.125421  0.500000  1
  W  W31  1  0.500000  0.250236  0.500000  1
  W  W32  1  0.583259  0.375037  0.500000  1
  W  W33  1  0.666684  0.499867  0.500000  1
  W  W34  1  0.750073  0.625002  0.500000  1
  W  W35  1  0.829802  0.751683  0.500000  1
  W  W36  1  0.913206  0.876939  0.500000  1
  W  W37  1  0.500000  0.000544  0.500000  1
  W  W38  1  0.583108  0.125421  0.500000  1
  W  W39  1  0.666410  0.250036  0.500000  1
  W  W40  1  0.749714  0.374454  0.500000  1
  W  W41  1  0.833020  0.498738  0.500000  1
  W  W42  1  0.916504  0.621411  0.500000  1
  W  W43  1  0.665964  0.000692  0.500000  1
  W  W44  1  0.749556  0.125362  0.500000  1
  W  W45  1  0.833145  0.249597  0.500000  1
  W  W46  1  0.916501  0.373965  0.500000  1
  W  W47  1  0.832303  0.000817  0.500000  1
  W  W48  1  0.916499  0.124807  0.500000  1
  S  S49  1  0.088003  0.794076  0.388839  1
  S  S50  1  0.168826  0.918186  0.388577  1
  S  S51  1  0.083691  0.539197  0.388667  1
  S  S52  1  0.165808  0.667076  0.390579  1
  S  S53  1  0.252381  0.792657  0.388602  1
  S  S54  1  0.334370  0.917468  0.389074  1
  S  S55  1  0.083424  0.290901  0.389161  1
  S  S56  1  0.166932  0.415646  0.389183  1
  S  S57  1  0.249982  0.541536  0.389325  1
  S  S58  1  0.333338  0.666739  0.389316  1
  S  S59  1  0.417260  0.792074  0.389121  1
  S  S60  1  0.500000  0.917264  0.389035  1
  S  S61  1  0.083438  0.041577  0.389258  1
  S  S62  1  0.166802  0.166476  0.389173  1
  S  S63  1  0.250192  0.291306  0.389179  1
  S  S64  1  0.333411  0.416561  0.389246  1
  S  S65  1  0.416637  0.541678  0.389351  1
  S  S66  1  0.500000  0.666703  0.389264  1
  S  S67  1  0.582740  0.792074  0.389121  1
  S  S68  1  0.665630  0.917468  0.389074  1
  S  S69  1  0.250767  0.042329  0.389106  1
  S  S70  1  0.333641  0.166929  0.389118  1
  S  S71  1  0.416762  0.291818  0.389174  1
  S  S72  1  0.500000  0.416745  0.389227  1
  S  S73  1  0.583363  0.541678  0.389351  1
  S  S74  1  0.666662  0.666739  0.389316  1
  S  S75  1  0.747619  0.792657  0.388602  1
  S  S76  1  0.831174  0.918186  0.388577  1
  S  S77  1  0.417016  0.042264  0.389053  1
  S  S78  1  0.500000  0.167065  0.389108  1
  S  S79  1  0.583238  0.291818  0.389174  1
  S  S80  1  0.666589  0.416561  0.389246  1
  S  S81  1  0.750018  0.541536  0.389326  1
  S  S82  1  0.834192  0.667076  0.390579  1
  S  S83  1  0.911997  0.794076  0.388840  1
  S  S84  1  -0.000000  0.915822  0.390543  1
  S  S85  1  0.582984  0.042264  0.389053  1
  S  S86  1  0.666359  0.166929  0.389118  1
  S  S87  1  0.749808  0.291306  0.389179  1
  S  S88  1  0.833068  0.415646  0.389184  1
  S  S89  1  0.916309  0.539197  0.388667  1
  S  S90  1  -0.000000  0.661911  0.388877  1
  S  S91  1  0.749233  0.042329  0.389106  1
  S  S92  1  0.833198  0.166476  0.389173  1
  S  S93  1  0.916576  0.290901  0.389161  1
  S  S94  1  -0.000000  0.415220  0.389167  1
  S  S95  1  0.916562  0.041577  0.389258  1
  S  S96  1  0.000000  0.166251  0.389272  1
  S  S97  1  0.088003  0.794076  0.611160  1
  S  S98  1  0.168826  0.918186  0.611423  1
  S  S99  1  0.083691  0.539197  0.611332  1
  S  S100  1  0.165808  0.667076  0.609420  1
  S  S101  1  0.252381  0.792657  0.611398  1
  S  S102  1  0.334370  0.917468  0.610926  1
  S  S103  1  0.083424  0.290901  0.610839  1
  S  S104  1  0.166932  0.415646  0.610816  1
  S  S105  1  0.249982  0.541536  0.610674  1
  S  S106  1  0.333338  0.666739  0.610683  1
  S  S107  1  0.417260  0.792074  0.610878  1
  S  S108  1  0.500000  0.917264  0.610965  1
  S  S109  1  0.083438  0.041577  0.610742  1
  S  S110  1  0.166802  0.166476  0.610827  1
  S  S111  1  0.250192  0.291306  0.610821  1
  S  S112  1  0.333411  0.416561  0.610754  1
  S  S113  1  0.416637  0.541678  0.610648  1
  S  S114  1  0.500000  0.666703  0.610736  1
  S  S115  1  0.582740  0.792074  0.610878  1
  S  S116  1  0.665630  0.917468  0.610926  1
  S  S117  1  0.250767  0.042329  0.610894  1
  S  S118  1  0.333641  0.166929  0.610883  1
  S  S119  1  0.416762  0.291818  0.610826  1
  S  S120  1  0.500000  0.416745  0.610773  1
  S  S121  1  0.583363  0.541678  0.610648  1
  S  S122  1  0.666662  0.666739  0.610683  1
  S  S123  1  0.747619  0.792657  0.611398  1
  S  S124  1  0.831174  0.918186  0.611423  1
  S  S125  1  0.417016  0.042264  0.610947  1
  S  S126  1  0.500000  0.167065  0.610892  1
  S  S127  1  0.583238  0.291818  0.610826  1
  S  S128  1  0.666589  0.416561  0.610754  1
  S  S129  1  0.750018  0.541536  0.610674  1
  S  S130  1  0.834192  0.667076  0.609420  1
  S  S131  1  0.911997  0.794076  0.611160  1
  S  S132  1  0.000000  0.915822  0.609457  1
  S  S133  1  0.582984  0.042264  0.610947  1
  S  S134  1  0.666359  0.166929  0.610883  1
  S  S135  1  0.749808  0.291306  0.610821  1
  S  S136  1  0.833068  0.415646  0.610816  1
  S  S137  1  0.916309  0.539197  0.611333  1
  S  S138  1  0.000000  0.661911  0.611123  1
  S  S139  1  0.749233  0.042329  0.610894  1
  S  S140  1  0.833198  0.166476  0.610827  1
  S  S141  1  0.916576  0.290901  0.610839  1
  S  S142  1  0.000000  0.415221  0.610833  1
  S  S143  1  0.916562  0.041577  0.610742  1
  S  S144  1  0.000000  0.166251  0.610727  1
