# generated using pymatgen
data_SrW47S96
_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   SrW47S96
_chemical_formula_sum   'Sr1 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
  Sr  Sr1  1  0.000000  0.749756  0.500000  1
  W  W2  1  0.090503  0.879362  0.500000  1
  W  W3  1  0.000000  0.494688  0.500001  1
  W  W4  1  0.083916  0.616938  0.500000  1
  W  W5  1  0.174355  0.753363  0.500000  1
  W  W6  1  0.254368  0.877610  0.500000  1
  W  W7  1  0.000000  0.248522  0.500001  1
  W  W8  1  0.083742  0.372225  0.500001  1
  W  W9  1  0.168088  0.496089  0.500001  1
  W  W10  1  0.249863  0.624840  0.500000  1
  W  W11  1  0.336885  0.750845  0.500000  1
  W  W12  1  0.418062  0.876489  0.500000  1
  W  W13  1  0.000000  -0.000090  0.500000  1
  W  W14  1  0.083638  0.124727  0.500000  1
  W  W15  1  0.167162  0.249029  0.500000  1
  W  W16  1  0.250730  0.373484  0.500001  1
  W  W17  1  0.333558  0.499665  0.500001  1
  W  W18  1  0.416817  0.625039  0.500000  1
  W  W19  1  0.500000  0.750691  0.500000  1
  W  W20  1  0.581938  0.876489  0.500000  1
  W  W21  1  0.169508  0.002808  0.500000  1
  W  W22  1  0.251287  0.126056  0.500000  1
  W  W23  1  0.333973  0.250212  0.500000  1
  W  W24  1  0.416849  0.375178  0.500001  1
  W  W25  1  0.500000  0.500053  0.500001  1
  W  W26  1  0.583183  0.625039  0.500001  1
  W  W27  1  0.663115  0.750845  0.500001  1
  W  W28  1  0.745632  0.877610  0.500001  1
  W  W29  1  0.335118  0.001871  0.500000  1
  W  W30  1  0.417228  0.126222  0.500000  1
  W  W31  1  0.500000  0.250772  0.500001  1
  W  W32  1  0.583151  0.375178  0.500000  1
  W  W33  1  0.666442  0.499665  0.500001  1
  W  W34  1  0.750137  0.624840  0.500001  1
  W  W35  1  0.825645  0.753363  0.500000  1
  W  W36  1  0.909497  0.879362  0.500000  1
  W  W37  1  0.500000  0.001581  0.500000  1
  W  W38  1  0.582772  0.126222  0.500001  1
  W  W39  1  0.666027  0.250212  0.500001  1
  W  W40  1  0.749270  0.373484  0.500001  1
  W  W41  1  0.831912  0.496089  0.500001  1
  W  W42  1  0.916084  0.616938  0.500000  1
  W  W43  1  0.664882  0.001871  0.500001  1
  W  W44  1  0.748713  0.126056  0.500001  1
  W  W45  1  0.832838  0.249029  0.500001  1
  W  W46  1  0.916258  0.372225  0.500001  1
  W  W47  1  0.830492  0.002808  0.500001  1
  W  W48  1  0.916362  0.124727  0.500001  1
  S  S49  1  0.098919  0.799617  0.386156  1
  S  S50  1  0.172054  0.921058  0.388665  1
  S  S51  1  0.084820  0.534829  0.388794  1
  S  S52  1  0.165502  0.667037  0.391980  1
  S  S53  1  0.256645  0.793851  0.388742  1
  S  S54  1  0.336081  0.918861  0.388547  1
  S  S55  1  0.083550  0.289670  0.388956  1
  S  S56  1  0.167429  0.413631  0.388844  1
  S  S57  1  0.250201  0.541045  0.389502  1
  S  S58  1  0.333596  0.666659  0.389499  1
  S  S59  1  0.418456  0.792906  0.388682  1
  S  S60  1  0.500000  0.918408  0.388704  1
  S  S61  1  0.083673  0.041760  0.389347  1
  S  S62  1  0.167088  0.166247  0.389080  1
  S  S63  1  0.250469  0.290731  0.388945  1
  S  S64  1  0.333525  0.416402  0.389231  1
  S  S65  1  0.416729  0.541668  0.389329  1
  S  S66  1  0.500000  0.666840  0.389353  1
  S  S67  1  0.581544  0.792906  0.388681  1
  S  S68  1  0.663919  0.918861  0.388546  1
  S  S69  1  0.252184  0.043661  0.388665  1
  S  S70  1  0.334193  0.167530  0.388812  1
  S  S71  1  0.416884  0.292209  0.389023  1
  S  S72  1  0.500000  0.416910  0.389163  1
  S  S73  1  0.583271  0.541668  0.389329  1
  S  S74  1  0.666404  0.666659  0.389499  1
  S  S75  1  0.743355  0.793851  0.388741  1
  S  S76  1  0.827946  0.921058  0.388664  1
  S  S77  1  0.417515  0.043327  0.388729  1
  S  S78  1  0.500000  0.167859  0.388888  1
  S  S79  1  0.583116  0.292209  0.389023  1
  S  S80  1  0.666475  0.416402  0.389231  1
  S  S81  1  0.749799  0.541045  0.389502  1
  S  S82  1  0.834498  0.667037  0.391980  1
  S  S83  1  0.901081  0.799617  0.386155  1
  S  S84  1  0.000000  0.915701  0.391801  1
  S  S85  1  0.582485  0.043327  0.388728  1
  S  S86  1  0.665807  0.167530  0.388812  1
  S  S87  1  0.749531  0.290731  0.388944  1
  S  S88  1  0.832571  0.413631  0.388843  1
  S  S89  1  0.915180  0.534829  0.388794  1
  S  S90  1  0.000000  0.650479  0.386262  1
  S  S91  1  0.747816  0.043661  0.388664  1
  S  S92  1  0.832912  0.166247  0.389079  1
  S  S93  1  0.916450  0.289670  0.388955  1
  S  S94  1  0.000000  0.412671  0.388700  1
  S  S95  1  0.916327  0.041760  0.389347  1
  S  S96  1  0.000000  0.165714  0.389126  1
  S  S97  1  0.098919  0.799617  0.613845  1
  S  S98  1  0.172054  0.921058  0.611336  1
  S  S99  1  0.084820  0.534829  0.611206  1
  S  S100  1  0.165502  0.667037  0.608020  1
  S  S101  1  0.256645  0.793851  0.611259  1
  S  S102  1  0.336081  0.918861  0.611454  1
  S  S103  1  0.083550  0.289670  0.611044  1
  S  S104  1  0.167429  0.413631  0.611156  1
  S  S105  1  0.250201  0.541045  0.610497  1
  S  S106  1  0.333596  0.666659  0.610501  1
  S  S107  1  0.418456  0.792906  0.611318  1
  S  S108  1  0.500000  0.918408  0.611296  1
  S  S109  1  0.083673  0.041760  0.610653  1
  S  S110  1  0.167088  0.166247  0.610920  1
  S  S111  1  0.250469  0.290731  0.611055  1
  S  S112  1  0.333525  0.416402  0.610768  1
  S  S113  1  0.416729  0.541668  0.610670  1
  S  S114  1  0.500000  0.666840  0.610646  1
  S  S115  1  0.581544  0.792906  0.611318  1
  S  S116  1  0.663919  0.918861  0.611453  1
  S  S117  1  0.252184  0.043661  0.611336  1
  S  S118  1  0.334193  0.167530  0.611188  1
  S  S119  1  0.416884  0.292209  0.610977  1
  S  S120  1  0.500000  0.416910  0.610836  1
  S  S121  1  0.583271  0.541668  0.610670  1
  S  S122  1  0.666404  0.666659  0.610500  1
  S  S123  1  0.743355  0.793851  0.611258  1
  S  S124  1  0.827946  0.921058  0.611335  1
  S  S125  1  0.417515  0.043327  0.611271  1
  S  S126  1  0.500000  0.167859  0.611112  1
  S  S127  1  0.583116  0.292209  0.610977  1
  S  S128  1  0.666475  0.416401  0.610768  1
  S  S129  1  0.749799  0.541045  0.610497  1
  S  S130  1  0.834498  0.667037  0.608020  1
  S  S131  1  0.901081  0.799617  0.613844  1
  S  S132  1  -0.000000  0.915701  0.608199  1
  S  S133  1  0.582485  0.043327  0.611271  1
  S  S134  1  0.665807  0.167530  0.611187  1
  S  S135  1  0.749531  0.290731  0.611055  1
  S  S136  1  0.832571  0.413631  0.611156  1
  S  S137  1  0.915180  0.534829  0.611206  1
  S  S138  1  -0.000000  0.650479  0.613738  1
  S  S139  1  0.747816  0.043661  0.611335  1
  S  S140  1  0.832912  0.166247  0.610920  1
  S  S141  1  0.916450  0.289670  0.611044  1
  S  S142  1  -0.000000  0.412671  0.611299  1
  S  S143  1  0.916327  0.041760  0.610653  1
  S  S144  1  -0.000000  0.165714  0.610874  1
