# 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  0.090108  0.876120  0.500001  1
  W  W2  1  -0.000000  0.497710  0.500002  1
  W  W3  1  0.081579  0.621838  0.500002  1
  W  W4  1  0.173405  0.750523  0.500001  1
  W  W5  1  0.252678  0.876362  0.500002  1
  W  W6  1  -0.000000  0.249345  0.500001  1
  W  W7  1  0.083366  0.373710  0.500000  1
  W  W8  1  0.167586  0.498310  0.500001  1
  W  W9  1  0.250128  0.624203  0.500003  1
  W  W10  1  0.335938  0.749675  0.500005  1
  W  W11  1  0.417681  0.875229  0.500006  1
  W  W12  1  -0.000000  0.000002  0.500001  1
  W  W13  1  0.083439  0.124554  0.499999  1
  W  W14  1  0.166827  0.249385  0.500000  1
  W  W15  1  0.250234  0.374259  0.500001  1
  W  W16  1  0.333399  0.499375  0.500004  1
  W  W17  1  0.417085  0.624367  0.500008  1
  W  W18  1  0.500000  0.749531  0.500009  1
  W  W19  1  0.582319  0.875229  0.500009  1
  W  W20  1  0.167678  0.000564  0.500000  1
  W  W21  1  0.250272  0.125434  0.499999  1
  W  W22  1  0.333436  0.249855  0.500002  1
  W  W23  1  0.416891  0.374699  0.500005  1
  W  W24  1  0.500000  0.499453  0.500008  1
  W  W25  1  0.582915  0.624367  0.500011  1
  W  W26  1  0.664062  0.749676  0.500008  1
  W  W27  1  0.747322  0.876362  0.500006  1
  W  W28  1  0.334205  0.000686  0.500002  1
  W  W29  1  0.416941  0.125353  0.500003  1
  W  W30  1  0.500000  0.250211  0.500005  1
  W  W31  1  0.583109  0.374698  0.500008  1
  W  W32  1  0.666601  0.499375  0.500010  1
  W  W33  1  0.749872  0.624203  0.500007  1
  W  W34  1  0.826595  0.750523  0.500003  1
  W  W35  1  0.909892  0.876120  0.500002  1
  W  W36  1  0.500000  0.000597  0.500006  1
  W  W37  1  0.583059  0.125353  0.500005  1
  W  W38  1  0.666564  0.249855  0.500007  1
  W  W39  1  0.749766  0.374259  0.500008  1
  W  W40  1  0.832414  0.498310  0.500005  1
  W  W41  1  0.918421  0.621838  0.500003  1
  W  W42  1  0.665795  0.000686  0.500007  1
  W  W43  1  0.749728  0.125434  0.500005  1
  W  W44  1  0.833173  0.249385  0.500004  1
  W  W45  1  0.916634  0.373710  0.500004  1
  W  W46  1  0.832322  0.000564  0.500004  1
  W  W47  1  0.916560  0.124554  0.500002  1
  S  S48  1  0.097937  0.792949  0.385721  1
  S  S49  1  0.169994  0.918360  0.388003  1
  S  S50  1  0.083861  0.538663  0.389182  1
  S  S51  1  0.166070  0.665723  0.390616  1
  S  S52  1  0.255345  0.792951  0.388557  1
  S  S53  1  0.335246  0.917635  0.388802  1
  S  S54  1  0.083448  0.290656  0.389043  1
  S  S55  1  0.166849  0.415260  0.389061  1
  S  S56  1  0.250301  0.540941  0.389052  1
  S  S57  1  0.333875  0.665916  0.389323  1
  S  S58  1  0.417969  0.791699  0.388838  1
  S  S59  1  0.500000  0.917317  0.388879  1
  S  S60  1  0.083395  0.041322  0.389192  1
  S  S61  1  0.166634  0.166320  0.389013  1
  S  S62  1  0.250106  0.291183  0.389071  1
  S  S63  1  0.333538  0.416109  0.389146  1
  S  S64  1  0.416732  0.541024  0.389168  1
  S  S65  1  0.500000  0.666099  0.388935  1
  S  S66  1  0.582031  0.791699  0.388836  1
  S  S67  1  0.664754  0.917636  0.388800  1
  S  S68  1  0.250787  0.042415  0.389141  1
  S  S69  1  0.333639  0.166813  0.389032  1
  S  S70  1  0.416634  0.291563  0.389060  1
  S  S71  1  0.500000  0.416370  0.388975  1
  S  S72  1  0.583267  0.541024  0.389166  1
  S  S73  1  0.666125  0.665916  0.389321  1
  S  S74  1  0.744655  0.792951  0.388555  1
  S  S75  1  0.830006  0.918360  0.388001  1
  S  S76  1  0.417028  0.042311  0.388911  1
  S  S77  1  0.500000  0.167125  0.389037  1
  S  S78  1  0.583366  0.291563  0.389059  1
  S  S79  1  0.666462  0.416108  0.389143  1
  S  S80  1  0.749699  0.540941  0.389049  1
  S  S81  1  0.833930  0.665724  0.390614  1
  S  S82  1  0.902063  0.792949  0.385720  1
  S  S83  1  0.000000  0.915809  0.390433  1
  S  S84  1  0.582972  0.042311  0.388910  1
  S  S85  1  0.666361  0.166813  0.389030  1
  S  S86  1  0.749894  0.291183  0.389068  1
  S  S87  1  0.833151  0.415260  0.389058  1
  S  S88  1  0.916139  0.538663  0.389181  1
  S  S89  1  0.000000  0.661632  0.390030  1
  S  S90  1  0.749213  0.042415  0.389139  1
  S  S91  1  0.833366  0.166321  0.389011  1
  S  S92  1  0.916552  0.290656  0.389042  1
  S  S93  1  -0.000001  0.414968  0.388865  1
  S  S94  1  0.916606  0.041322  0.389191  1
  S  S95  1  0.000000  0.166133  0.389214  1
  S  S96  1  0.097937  0.792949  0.614279  1
  S  S97  1  0.169995  0.918360  0.611997  1
  S  S98  1  0.083861  0.538663  0.610817  1
  S  S99  1  0.166070  0.665723  0.609383  1
  S  S100  1  0.255346  0.792951  0.611441  1
  S  S101  1  0.335247  0.917635  0.611195  1
  S  S102  1  0.083448  0.290656  0.610957  1
  S  S103  1  0.166849  0.415260  0.610938  1
  S  S104  1  0.250302  0.540941  0.610945  1
  S  S105  1  0.333876  0.665915  0.610672  1
  S  S106  1  0.417970  0.791699  0.611156  1
  S  S107  1  0.500000  0.917316  0.611115  1
  S  S108  1  0.083395  0.041322  0.610809  1
  S  S109  1  0.166635  0.166321  0.610987  1
  S  S110  1  0.250106  0.291183  0.610929  1
  S  S111  1  0.333538  0.416109  0.610850  1
  S  S112  1  0.416733  0.541024  0.610824  1
  S  S113  1  0.500000  0.666099  0.611055  1
  S  S114  1  0.582031  0.791699  0.611155  1
  S  S115  1  0.664753  0.917635  0.611193  1
  S  S116  1  0.250787  0.042415  0.610859  1
  S  S117  1  0.333640  0.166813  0.610967  1
  S  S118  1  0.416634  0.291563  0.610936  1
  S  S119  1  0.500000  0.416370  0.611017  1
  S  S120  1  0.583267  0.541024  0.610822  1
  S  S121  1  0.666124  0.665915  0.610669  1
  S  S122  1  0.744655  0.792951  0.611440  1
  S  S123  1  0.830005  0.918360  0.611996  1
  S  S124  1  0.417029  0.042311  0.611086  1
  S  S125  1  0.500000  0.167126  0.610958  1
  S  S126  1  0.583366  0.291563  0.610934  1
  S  S127  1  0.666462  0.416109  0.610848  1
  S  S128  1  0.749698  0.540941  0.610941  1
  S  S129  1  0.833929  0.665723  0.609381  1
  S  S130  1  0.902063  0.792950  0.614278  1
  S  S131  1  -0.000000  0.915809  0.609567  1
  S  S132  1  0.582972  0.042311  0.611085  1
  S  S133  1  0.666361  0.166813  0.610965  1
  S  S134  1  0.749894  0.291183  0.610926  1
  S  S135  1  0.833150  0.415261  0.610936  1
  S  S136  1  0.916138  0.538663  0.610815  1
  S  S137  1  -0.000000  0.661632  0.609968  1
  S  S138  1  0.749213  0.042415  0.610857  1
  S  S139  1  0.833365  0.166321  0.610985  1
  S  S140  1  0.916552  0.290657  0.610955  1
  S  S141  1  0.000001  0.414968  0.611133  1
  S  S142  1  0.916605  0.041322  0.610807  1
  S  S143  1  -0.000000  0.166133  0.610785  1
  Cl  Cl144  1  0.000000  0.794020  0.500000  1
