# 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  0.750029  0.500000  1
  W  W2  1  0.086869  0.876702  0.500000  1
  W  W3  1  -0.000000  0.498041  0.499999  1
  W  W4  1  0.083090  0.621423  0.500000  1
  W  W5  1  0.169869  0.751937  0.500000  1
  W  W6  1  0.251694  0.875999  0.500000  1
  W  W7  1  -0.000000  0.249605  0.499999  1
  W  W8  1  0.083499  0.374090  0.499999  1
  W  W9  1  0.167346  0.498768  0.499999  1
  W  W10  1  0.249846  0.624980  0.500000  1
  W  W11  1  0.334523  0.750063  0.500000  1
  W  W12  1  0.417166  0.875397  0.500000  1
  W  W13  1  -0.000000  -0.000043  0.500000  1
  W  W14  1  0.083477  0.124971  0.499999  1
  W  W15  1  0.166877  0.249732  0.499999  1
  W  W16  1  0.250380  0.374472  0.500000  1
  W  W17  1  0.333367  0.499820  0.499998  1
  W  W18  1  0.416706  0.624943  0.499999  1
  W  W19  1  0.500000  0.749958  0.500000  1
  W  W20  1  0.582834  0.875397  0.500000  1
  W  W21  1  0.167505  0.001111  0.499999  1
  W  W22  1  0.250427  0.125471  0.499999  1
  W  W23  1  0.333604  0.250062  0.499999  1
  W  W24  1  0.416773  0.375005  0.499998  1
  W  W25  1  0.500000  0.499898  0.499999  1
  W  W26  1  0.583294  0.624943  0.499999  1
  W  W27  1  0.665477  0.750063  0.500001  1
  W  W28  1  0.748306  0.875999  0.500001  1
  W  W29  1  0.334012  0.000641  0.499999  1
  W  W30  1  0.416866  0.125394  0.499999  1
  W  W31  1  0.500000  0.250219  0.499999  1
  W  W32  1  0.583227  0.375005  0.499998  1
  W  W33  1  0.666633  0.499820  0.499998  1
  W  W34  1  0.750154  0.624980  0.500000  1
  W  W35  1  0.830131  0.751937  0.500000  1
  W  W36  1  0.913131  0.876702  0.500000  1
  W  W37  1  0.500000  0.000469  0.500000  1
  W  W38  1  0.583134  0.125394  0.499999  1
  W  W39  1  0.666396  0.250062  0.499999  1
  W  W40  1  0.749620  0.374472  0.500000  1
  W  W41  1  0.832654  0.498768  0.499999  1
  W  W42  1  0.916910  0.621423  0.500000  1
  W  W43  1  0.665988  0.000641  0.500000  1
  W  W44  1  0.749573  0.125471  0.500000  1
  W  W45  1  0.833123  0.249732  0.499999  1
  W  W46  1  0.916501  0.374090  0.499999  1
  W  W47  1  0.832495  0.001111  0.500000  1
  W  W48  1  0.916523  0.124971  0.500000  1
  S  S49  1  0.088931  0.794596  0.388684  1
  S  S50  1  0.168935  0.918489  0.388864  1
  S  S51  1  0.083916  0.538943  0.388930  1
  S  S52  1  0.165635  0.667159  0.390476  1
  S  S53  1  0.252661  0.792583  0.388910  1
  S  S54  1  0.334467  0.917473  0.388953  1
  S  S55  1  0.083459  0.291039  0.389137  1
  S  S56  1  0.167056  0.415651  0.389152  1
  S  S57  1  0.250137  0.541549  0.389206  1
  S  S58  1  0.333347  0.666530  0.389215  1
  S  S59  1  0.417311  0.791903  0.389103  1
  S  S60  1  0.500001  0.917135  0.389064  1
  S  S61  1  0.083335  0.041772  0.389170  1
  S  S62  1  0.166804  0.166615  0.389156  1
  S  S63  1  0.250250  0.291358  0.389137  1
  S  S64  1  0.333482  0.416524  0.389187  1
  S  S65  1  0.416690  0.541551  0.389286  1
  S  S66  1  0.500000  0.666515  0.389185  1
  S  S67  1  0.582689  0.791903  0.389102  1
  S  S68  1  0.665533  0.917473  0.388953  1
  S  S69  1  0.250761  0.042444  0.389096  1
  S  S70  1  0.333650  0.166960  0.389083  1
  S  S71  1  0.416785  0.291793  0.389137  1
  S  S72  1  0.500000  0.416665  0.389165  1
  S  S73  1  0.583310  0.541551  0.389286  1
  S  S74  1  0.666653  0.666530  0.389215  1
  S  S75  1  0.747339  0.792583  0.388909  1
  S  S76  1  0.831065  0.918489  0.388864  1
  S  S77  1  0.417014  0.042228  0.389050  1
  S  S78  1  0.500000  0.167034  0.389109  1
  S  S79  1  0.583214  0.291793  0.389137  1
  S  S80  1  0.666518  0.416524  0.389188  1
  S  S81  1  0.749863  0.541549  0.389206  1
  S  S82  1  0.834365  0.667159  0.390476  1
  S  S83  1  0.911069  0.794596  0.388684  1
  S  S84  1  0.000000  0.915789  0.390424  1
  S  S85  1  0.582985  0.042228  0.389050  1
  S  S86  1  0.666350  0.166960  0.389083  1
  S  S87  1  0.749750  0.291358  0.389137  1
  S  S88  1  0.832944  0.415651  0.389152  1
  S  S89  1  0.916084  0.538943  0.388930  1
  S  S90  1  -0.000000  0.660858  0.388781  1
  S  S91  1  0.749239  0.042444  0.389096  1
  S  S92  1  0.833196  0.166615  0.389156  1
  S  S93  1  0.916541  0.291039  0.389137  1
  S  S94  1  -0.000000  0.415174  0.388994  1
  S  S95  1  0.916665  0.041772  0.389169  1
  S  S96  1  0.000000  0.166458  0.389229  1
  S  S97  1  0.088931  0.794596  0.611316  1
  S  S98  1  0.168935  0.918489  0.611136  1
  S  S99  1  0.083916  0.538943  0.611071  1
  S  S100  1  0.165635  0.667159  0.609524  1
  S  S101  1  0.252661  0.792583  0.611090  1
  S  S102  1  0.334467  0.917472  0.611047  1
  S  S103  1  0.083459  0.291039  0.610864  1
  S  S104  1  0.167056  0.415651  0.610849  1
  S  S105  1  0.250137  0.541549  0.610795  1
  S  S106  1  0.333347  0.666530  0.610785  1
  S  S107  1  0.417311  0.791903  0.610897  1
  S  S108  1  0.500000  0.917136  0.610936  1
  S  S109  1  0.083335  0.041772  0.610831  1
  S  S110  1  0.166803  0.166615  0.610844  1
  S  S111  1  0.250250  0.291358  0.610864  1
  S  S112  1  0.333482  0.416524  0.610814  1
  S  S113  1  0.416691  0.541551  0.610715  1
  S  S114  1  0.500000  0.666515  0.610815  1
  S  S115  1  0.582689  0.791903  0.610897  1
  S  S116  1  0.665533  0.917472  0.611047  1
  S  S117  1  0.250761  0.042444  0.610904  1
  S  S118  1  0.333650  0.166960  0.610918  1
  S  S119  1  0.416785  0.291792  0.610864  1
  S  S120  1  0.500000  0.416665  0.610836  1
  S  S121  1  0.583309  0.541551  0.610715  1
  S  S122  1  0.666653  0.666530  0.610785  1
  S  S123  1  0.747339  0.792583  0.611090  1
  S  S124  1  0.831065  0.918489  0.611136  1
  S  S125  1  0.417015  0.042228  0.610951  1
  S  S126  1  0.500000  0.167034  0.610892  1
  S  S127  1  0.583215  0.291792  0.610864  1
  S  S128  1  0.666518  0.416524  0.610814  1
  S  S129  1  0.749863  0.541549  0.610795  1
  S  S130  1  0.834365  0.667159  0.609524  1
  S  S131  1  0.911069  0.794596  0.611316  1
  S  S132  1  -0.000000  0.915789  0.609576  1
  S  S133  1  0.582986  0.042228  0.610951  1
  S  S134  1  0.666350  0.166960  0.610918  1
  S  S135  1  0.749750  0.291358  0.610864  1
  S  S136  1  0.832944  0.415651  0.610849  1
  S  S137  1  0.916084  0.538943  0.611071  1
  S  S138  1  -0.000000  0.660858  0.611219  1
  S  S139  1  0.749239  0.042444  0.610904  1
  S  S140  1  0.833196  0.166615  0.610844  1
  S  S141  1  0.916541  0.291039  0.610864  1
  S  S142  1  -0.000000  0.415174  0.611006  1
  S  S143  1  0.916665  0.041772  0.610831  1
  S  S144  1  -0.000000  0.166458  0.610772  1
