# generated using pymatgen
data_RuW47S96
_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   RuW47S96
_chemical_formula_sum   'Ru1 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
  Ru  Ru1  1  -0.000000  0.749892  0.500000  1
  W  W2  1  0.084363  0.877621  0.500000  1
  W  W3  1  0.000000  0.499339  0.500000  1
  W  W4  1  0.085371  0.622945  0.500000  1
  W  W5  1  0.169636  0.749506  0.500000  1
  W  W6  1  0.250596  0.875364  0.500000  1
  W  W7  1  -0.000000  0.249743  0.500000  1
  W  W8  1  0.083400  0.374529  0.500000  1
  W  W9  1  0.166156  0.499694  0.500000  1
  W  W10  1  0.250096  0.624991  0.500000  1
  W  W11  1  0.333375  0.750592  0.500000  1
  W  W12  1  0.416993  0.875292  0.500000  1
  W  W13  1  0.000000  0.000073  0.500000  1
  W  W14  1  0.083477  0.125006  0.500000  1
  W  W15  1  0.166738  0.249781  0.500000  1
  W  W16  1  0.250054  0.374773  0.500000  1
  W  W17  1  0.333378  0.499858  0.500000  1
  W  W18  1  0.416835  0.625133  0.500000  1
  W  W19  1  0.500000  0.750184  0.500000  1
  W  W20  1  0.583007  0.875292  0.500000  1
  W  W21  1  0.167205  -0.000263  0.500000  1
  W  W22  1  0.250174  0.125088  0.500000  1
  W  W23  1  0.333346  0.249939  0.500000  1
  W  W24  1  0.416623  0.374973  0.500000  1
  W  W25  1  0.500000  0.500098  0.500000  1
  W  W26  1  0.583165  0.625133  0.500000  1
  W  W27  1  0.666625  0.750592  0.500000  1
  W  W28  1  0.749404  0.875364  0.500000  1
  W  W29  1  0.333664  0.000299  0.500000  1
  W  W30  1  0.416779  0.125135  0.500000  1
  W  W31  1  0.500000  0.250002  0.500000  1
  W  W32  1  0.583377  0.374973  0.500000  1
  W  W33  1  0.666622  0.499858  0.500000  1
  W  W34  1  0.749904  0.624991  0.500000  1
  W  W35  1  0.830364  0.749506  0.500000  1
  W  W36  1  0.915637  0.877621  0.500000  1
  W  W37  1  0.500000  0.000164  0.500000  1
  W  W38  1  0.583221  0.125135  0.500000  1
  W  W39  1  0.666654  0.249939  0.500000  1
  W  W40  1  0.749946  0.374773  0.500000  1
  W  W41  1  0.833844  0.499694  0.500000  1
  W  W42  1  0.914629  0.622945  0.500000  1
  W  W43  1  0.666336  0.000299  0.500000  1
  W  W44  1  0.749826  0.125088  0.500000  1
  W  W45  1  0.833262  0.249781  0.500000  1
  W  W46  1  0.916600  0.374529  0.500000  1
  W  W47  1  0.832795  -0.000263  0.500000  1
  W  W48  1  0.916523  0.125006  0.500000  1
  S  S49  1  0.083415  0.791784  0.391991  1
  S  S50  1  0.167670  0.916908  0.388451  1
  S  S51  1  0.083066  0.540782  0.388490  1
  S  S52  1  0.167011  0.666513  0.389481  1
  S  S53  1  0.250683  0.792314  0.388528  1
  S  S54  1  0.333854  0.917025  0.389340  1
  S  S55  1  0.083386  0.291354  0.389289  1
  S  S56  1  0.166629  0.416422  0.389353  1
  S  S57  1  0.249990  0.541473  0.389471  1
  S  S58  1  0.333532  0.666839  0.389445  1
  S  S59  1  0.416782  0.791920  0.389310  1
  S  S60  1  0.500000  0.916899  0.389145  1
  S  S61  1  0.083548  0.041712  0.389427  1
  S  S62  1  0.166756  0.166544  0.389321  1
  S  S63  1  0.249997  0.291521  0.389327  1
  S  S64  1  0.333295  0.416595  0.389369  1
  S  S65  1  0.416599  0.541771  0.389446  1
  S  S66  1  0.500000  0.666856  0.389359  1
  S  S67  1  0.583218  0.791920  0.389310  1
  S  S68  1  0.666146  0.917025  0.389340  1
  S  S69  1  0.250203  0.041733  0.389312  1
  S  S70  1  0.333427  0.166684  0.389302  1
  S  S71  1  0.416645  0.291668  0.389344  1
  S  S72  1  0.500000  0.416691  0.389415  1
  S  S73  1  0.583401  0.541771  0.389446  1
  S  S74  1  0.666468  0.666839  0.389445  1
  S  S75  1  0.749317  0.792314  0.388528  1
  S  S76  1  0.832330  0.916908  0.388451  1
  S  S77  1  0.416793  0.041867  0.389238  1
  S  S78  1  0.500000  0.166745  0.389274  1
  S  S79  1  0.583355  0.291668  0.389344  1
  S  S80  1  0.666705  0.416595  0.389369  1
  S  S81  1  0.750010  0.541473  0.389471  1
  S  S82  1  0.832989  0.666513  0.389481  1
  S  S83  1  0.916585  0.791784  0.391991  1
  S  S84  1  -0.000000  0.917021  0.389462  1
  S  S85  1  0.583207  0.041867  0.389238  1
  S  S86  1  0.666573  0.166684  0.389302  1
  S  S87  1  0.750003  0.291521  0.389327  1
  S  S88  1  0.833371  0.416422  0.389353  1
  S  S89  1  0.916934  0.540782  0.388490  1
  S  S90  1  0.000000  0.666483  0.391953  1
  S  S91  1  0.749797  0.041733  0.389312  1
  S  S92  1  0.833244  0.166544  0.389321  1
  S  S93  1  0.916614  0.291354  0.389289  1
  S  S94  1  -0.000000  0.416013  0.389391  1
  S  S95  1  0.916452  0.041712  0.389427  1
  S  S96  1  -0.000000  0.166444  0.389399  1
  S  S97  1  0.083415  0.791784  0.608009  1
  S  S98  1  0.167670  0.916908  0.611549  1
  S  S99  1  0.083066  0.540782  0.611510  1
  S  S100  1  0.167011  0.666513  0.610519  1
  S  S101  1  0.250683  0.792314  0.611472  1
  S  S102  1  0.333854  0.917025  0.610660  1
  S  S103  1  0.083386  0.291354  0.610711  1
  S  S104  1  0.166629  0.416422  0.610647  1
  S  S105  1  0.249990  0.541473  0.610529  1
  S  S106  1  0.333532  0.666839  0.610555  1
  S  S107  1  0.416782  0.791920  0.610690  1
  S  S108  1  0.500000  0.916899  0.610855  1
  S  S109  1  0.083548  0.041712  0.610573  1
  S  S110  1  0.166756  0.166544  0.610679  1
  S  S111  1  0.249997  0.291521  0.610673  1
  S  S112  1  0.333295  0.416595  0.610631  1
  S  S113  1  0.416599  0.541771  0.610554  1
  S  S114  1  0.500000  0.666856  0.610641  1
  S  S115  1  0.583218  0.791920  0.610690  1
  S  S116  1  0.666146  0.917025  0.610660  1
  S  S117  1  0.250203  0.041733  0.610688  1
  S  S118  1  0.333427  0.166684  0.610698  1
  S  S119  1  0.416645  0.291668  0.610656  1
  S  S120  1  0.500000  0.416691  0.610585  1
  S  S121  1  0.583401  0.541771  0.610554  1
  S  S122  1  0.666468  0.666839  0.610555  1
  S  S123  1  0.749317  0.792314  0.611472  1
  S  S124  1  0.832330  0.916908  0.611549  1
  S  S125  1  0.416793  0.041867  0.610762  1
  S  S126  1  0.500000  0.166745  0.610726  1
  S  S127  1  0.583355  0.291668  0.610656  1
  S  S128  1  0.666705  0.416595  0.610631  1
  S  S129  1  0.750010  0.541473  0.610529  1
  S  S130  1  0.832989  0.666513  0.610519  1
  S  S131  1  0.916585  0.791784  0.608009  1
  S  S132  1  -0.000000  0.917021  0.610538  1
  S  S133  1  0.583207  0.041867  0.610762  1
  S  S134  1  0.666573  0.166684  0.610698  1
  S  S135  1  0.750003  0.291521  0.610673  1
  S  S136  1  0.833371  0.416422  0.610647  1
  S  S137  1  0.916934  0.540782  0.611510  1
  S  S138  1  -0.000000  0.666483  0.608047  1
  S  S139  1  0.749797  0.041733  0.610688  1
  S  S140  1  0.833244  0.166544  0.610679  1
  S  S141  1  0.916614  0.291354  0.610711  1
  S  S142  1  0.000000  0.416013  0.610609  1
  S  S143  1  0.916452  0.041712  0.610573  1
  S  S144  1  -0.000000  0.166444  0.610601  1
