# generated using pymatgen
data_W47S96Cl
_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   W47S96Cl
_chemical_formula_sum   'W47 S96 Cl1'
_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  0.090879  0.879399  0.500000  1
  W  W2  1  0.000000  0.494777  0.500001  1
  W  W3  1  0.083980  0.616763  0.500000  1
  W  W4  1  0.174420  0.753371  0.500000  1
  W  W5  1  0.254189  0.877538  0.500000  1
  W  W6  1  0.000000  0.247832  0.500001  1
  W  W7  1  0.083262  0.371947  0.500001  1
  W  W8  1  0.166025  0.497102  0.500001  1
  W  W9  1  0.248586  0.625621  0.500001  1
  W  W10  1  0.335175  0.752056  0.500001  1
  W  W11  1  0.417924  0.876808  0.500000  1
  W  W12  1  0.000000  -0.001729  0.500000  1
  W  W13  1  0.083717  0.123766  0.500001  1
  W  W14  1  0.167071  0.248459  0.500001  1
  W  W15  1  0.250439  0.373628  0.500001  1
  W  W16  1  0.332887  0.500118  0.500002  1
  W  W17  1  0.416563  0.625879  0.500003  1
  W  W18  1  0.500000  0.751110  0.500002  1
  W  W19  1  0.582076  0.876808  0.500001  1
  W  W20  1  0.169480  0.000562  0.500000  1
  W  W21  1  0.251181  0.125663  0.500000  1
  W  W22  1  0.333734  0.250119  0.500001  1
  W  W23  1  0.416545  0.375667  0.500002  1
  W  W24  1  0.500000  0.500762  0.500003  1
  W  W25  1  0.583437  0.625879  0.500003  1
  W  W26  1  0.664825  0.752056  0.500002  1
  W  W27  1  0.745811  0.877538  0.500001  1
  W  W28  1  0.335320  0.001554  0.500000  1
  W  W29  1  0.417258  0.126308  0.500000  1
  W  W30  1  0.500000  0.250850  0.500001  1
  W  W31  1  0.583455  0.375667  0.500003  1
  W  W32  1  0.667113  0.500118  0.500003  1
  W  W33  1  0.751414  0.625622  0.500001  1
  W  W34  1  0.825580  0.753371  0.500001  1
  W  W35  1  0.909121  0.879399  0.500000  1
  W  W36  1  0.500000  0.001597  0.500000  1
  W  W37  1  0.582742  0.126308  0.500000  1
  W  W38  1  0.666267  0.250119  0.500001  1
  W  W39  1  0.749561  0.373628  0.500003  1
  W  W40  1  0.833975  0.497102  0.500001  1
  W  W41  1  0.916020  0.616763  0.500000  1
  W  W42  1  0.664680  0.001554  0.500000  1
  W  W43  1  0.748819  0.125663  0.500001  1
  W  W44  1  0.832929  0.248459  0.500002  1
  W  W45  1  0.916738  0.371947  0.500002  1
  W  W46  1  0.830520  0.000562  0.500001  1
  W  W47  1  0.916283  0.123766  0.500001  1
  S  S48  1  0.094011  0.797153  0.389295  1
  S  S49  1  0.171958  0.919133  0.387127  1
  S  S50  1  0.083062  0.535851  0.387444  1
  S  S51  1  0.163981  0.667864  0.392170  1
  S  S52  1  0.254773  0.794616  0.387477  1
  S  S53  1  0.336080  0.918854  0.388284  1
  S  S54  1  0.083486  0.289216  0.389108  1
  S  S55  1  0.166732  0.414198  0.389349  1
  S  S56  1  0.249200  0.541600  0.389734  1
  S  S57  1  0.332807  0.667421  0.389810  1
  S  S58  1  0.417782  0.793178  0.389041  1
  S  S59  1  0.500000  0.918484  0.388697  1
  S  S60  1  0.083698  0.040506  0.389537  1
  S  S61  1  0.166967  0.165556  0.389214  1
  S  S62  1  0.250195  0.290703  0.389194  1
  S  S63  1  0.333051  0.416817  0.389418  1
  S  S64  1  0.416269  0.542372  0.389741  1
  S  S65  1  0.500000  0.667493  0.389467  1
  S  S66  1  0.582218  0.793178  0.389041  1
  S  S67  1  0.663920  0.918854  0.388283  1
  S  S68  1  0.251793  0.042754  0.389113  1
  S  S69  1  0.334026  0.167352  0.388982  1
  S  S70  1  0.416718  0.292464  0.389350  1
  S  S71  1  0.500000  0.417435  0.389479  1
  S  S72  1  0.583731  0.542372  0.389740  1
  S  S73  1  0.667193  0.667421  0.389809  1
  S  S74  1  0.745227  0.794616  0.387476  1
  S  S75  1  0.828042  0.919133  0.387126  1
  S  S76  1  0.417499  0.043356  0.388804  1
  S  S77  1  0.500000  0.167981  0.388998  1
  S  S78  1  0.583282  0.292464  0.389350  1
  S  S79  1  0.666949  0.416817  0.389417  1
  S  S80  1  0.750800  0.541600  0.389733  1
  S  S81  1  0.836019  0.667864  0.392170  1
  S  S82  1  0.905989  0.797153  0.389295  1
  S  S83  1  0.000000  0.913819  0.392067  1
  S  S84  1  0.582501  0.043356  0.388804  1
  S  S85  1  0.665974  0.167352  0.388981  1
  S  S86  1  0.749805  0.290702  0.389194  1
  S  S87  1  0.833268  0.414198  0.389348  1
  S  S88  1  0.916938  0.535851  0.387444  1
  S  S89  1  -0.000000  0.655512  0.389602  1
  S  S90  1  0.748207  0.042754  0.389113  1
  S  S91  1  0.833033  0.165556  0.389214  1
  S  S92  1  0.916514  0.289216  0.389108  1
  S  S93  1  0.000000  0.412550  0.388449  1
  S  S94  1  0.916302  0.040506  0.389537  1
  S  S95  1  0.000000  0.164775  0.389415  1
  S  S96  1  0.094011  0.797153  0.610705  1
  S  S97  1  0.171958  0.919133  0.612873  1
  S  S98  1  0.083062  0.535851  0.612555  1
  S  S99  1  0.163981  0.667864  0.607830  1
  S  S100  1  0.254773  0.794616  0.612523  1
  S  S101  1  0.336080  0.918853  0.611717  1
  S  S102  1  0.083486  0.289216  0.610891  1
  S  S103  1  0.166732  0.414198  0.610650  1
  S  S104  1  0.249200  0.541600  0.610265  1
  S  S105  1  0.332807  0.667421  0.610189  1
  S  S106  1  0.417783  0.793178  0.610958  1
  S  S107  1  0.500000  0.918484  0.611303  1
  S  S108  1  0.083698  0.040506  0.610462  1
  S  S109  1  0.166967  0.165557  0.610786  1
  S  S110  1  0.250195  0.290703  0.610805  1
  S  S111  1  0.333051  0.416817  0.610580  1
  S  S112  1  0.416269  0.542372  0.610257  1
  S  S113  1  0.500000  0.667493  0.610530  1
  S  S114  1  0.582218  0.793178  0.610957  1
  S  S115  1  0.663920  0.918853  0.611716  1
  S  S116  1  0.251793  0.042754  0.610887  1
  S  S117  1  0.334026  0.167352  0.611018  1
  S  S118  1  0.416718  0.292465  0.610648  1
  S  S119  1  0.500000  0.417435  0.610518  1
  S  S120  1  0.583731  0.542372  0.610256  1
  S  S121  1  0.667193  0.667421  0.610188  1
  S  S122  1  0.745227  0.794616  0.612523  1
  S  S123  1  0.828042  0.919133  0.612873  1
  S  S124  1  0.417499  0.043356  0.611196  1
  S  S125  1  0.500000  0.167981  0.611002  1
  S  S126  1  0.583282  0.292465  0.610648  1
  S  S127  1  0.666949  0.416817  0.610579  1
  S  S128  1  0.750800  0.541600  0.610264  1
  S  S129  1  0.836019  0.667864  0.607829  1
  S  S130  1  0.905989  0.797153  0.610705  1
  S  S131  1  -0.000000  0.913819  0.607933  1
  S  S132  1  0.582501  0.043356  0.611196  1
  S  S133  1  0.665974  0.167352  0.611018  1
  S  S134  1  0.749805  0.290703  0.610804  1
  S  S135  1  0.833268  0.414198  0.610649  1
  S  S136  1  0.916938  0.535851  0.612555  1
  S  S137  1  0.000000  0.655513  0.610396  1
  S  S138  1  0.748207  0.042754  0.610887  1
  S  S139  1  0.833033  0.165557  0.610785  1
  S  S140  1  0.916514  0.289216  0.610891  1
  S  S141  1  -0.000000  0.412548  0.611552  1
  S  S142  1  0.916302  0.040506  0.610462  1
  S  S143  1  -0.000000  0.164775  0.610584  1
  Cl  Cl144  1  0.000000  0.750218  0.500000  1
