# generated using pymatgen
data_MoW47S96
_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   MoW47S96
_chemical_formula_sum   'Mo1 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
  Mo  Mo1  1  -0.000000  0.750011  0.500000  1
  W  W2  1  0.083479  0.874855  0.500000  1
  W  W3  1  0.000000  0.499945  0.500000  1
  W  W4  1  0.083114  0.624967  0.500000  1
  W  W5  1  0.166590  0.750184  0.500000  1
  W  W6  1  0.250057  0.875030  0.500000  1
  W  W7  1  0.000000  0.250003  0.500000  1
  W  W8  1  0.083330  0.375003  0.500000  1
  W  W9  1  0.166694  0.499996  0.500000  1
  W  W10  1  0.249963  0.625021  0.500000  1
  W  W11  1  0.333351  0.749985  0.500000  1
  W  W12  1  0.416664  0.875004  0.500000  1
  W  W13  1  -0.000000  -0.000034  0.500000  1
  W  W14  1  0.083330  0.124999  0.500000  1
  W  W15  1  0.166667  0.250002  0.500000  1
  W  W16  1  0.249998  0.375001  0.500000  1
  W  W17  1  0.333332  0.500005  0.500000  1
  W  W18  1  0.416663  0.625001  0.500000  1
  W  W19  1  0.500000  0.750005  0.500000  1
  W  W20  1  0.583336  0.875004  0.500000  1
  W  W21  1  0.166659  0.000027  0.500000  1
  W  W22  1  0.250002  0.125001  0.500000  1
  W  W23  1  0.333333  0.250002  0.500000  1
  W  W24  1  0.416667  0.375002  0.500000  1
  W  W25  1  0.500000  0.500001  0.500000  1
  W  W26  1  0.583337  0.625001  0.500000  1
  W  W27  1  0.666649  0.749985  0.500000  1
  W  W28  1  0.749943  0.875030  0.500000  1
  W  W29  1  0.333334  -0.000001  0.500000  1
  W  W30  1  0.416666  0.125002  0.500000  1
  W  W31  1  0.500000  0.250002  0.500000  1
  W  W32  1  0.583333  0.375002  0.500000  1
  W  W33  1  0.666668  0.500005  0.500000  1
  W  W34  1  0.750037  0.625021  0.500000  1
  W  W35  1  0.833410  0.750184  0.500000  1
  W  W36  1  0.916521  0.874855  0.500000  1
  W  W37  1  0.500000  0.000001  0.500000  1
  W  W38  1  0.583334  0.125002  0.500000  1
  W  W39  1  0.666667  0.250002  0.500000  1
  W  W40  1  0.750002  0.375001  0.500000  1
  W  W41  1  0.833306  0.499996  0.500000  1
  W  W42  1  0.916886  0.624967  0.500000  1
  W  W43  1  0.666666  -0.000001  0.500000  1
  W  W44  1  0.749998  0.125001  0.500000  1
  W  W45  1  0.833333  0.250002  0.500000  1
  W  W46  1  0.916670  0.375003  0.500000  1
  W  W47  1  0.833341  0.000027  0.500000  1
  W  W48  1  0.916670  0.124999  0.500000  1
  S  S49  1  0.083483  0.791742  0.389356  1
  S  S50  1  0.166698  0.916674  0.389280  1
  S  S51  1  0.083326  0.541638  0.389281  1
  S  S52  1  0.166540  0.666729  0.389387  1
  S  S53  1  0.250024  0.791686  0.389279  1
  S  S54  1  0.333330  0.916664  0.389245  1
  S  S55  1  0.083333  0.291666  0.389253  1
  S  S56  1  0.166664  0.416659  0.389244  1
  S  S57  1  0.249998  0.541670  0.389255  1
  S  S58  1  0.333328  0.666666  0.389256  1
  S  S59  1  0.416673  0.791671  0.389245  1
  S  S60  1  0.500000  0.916666  0.389252  1
  S  S61  1  0.083330  0.041662  0.389255  1
  S  S62  1  0.166666  0.166666  0.389252  1
  S  S63  1  0.250000  0.291666  0.389253  1
  S  S64  1  0.333334  0.416666  0.389252  1
  S  S65  1  0.416667  0.541665  0.389253  1
  S  S66  1  0.500000  0.666663  0.389251  1
  S  S67  1  0.583327  0.791671  0.389245  1
  S  S68  1  0.666670  0.916664  0.389245  1
  S  S69  1  0.250007  0.041667  0.389244  1
  S  S70  1  0.333333  0.166666  0.389253  1
  S  S71  1  0.416667  0.291666  0.389252  1
  S  S72  1  0.500000  0.416665  0.389252  1
  S  S73  1  0.583333  0.541665  0.389253  1
  S  S74  1  0.666672  0.666666  0.389256  1
  S  S75  1  0.749976  0.791686  0.389279  1
  S  S76  1  0.833302  0.916674  0.389280  1
  S  S77  1  0.416667  0.041665  0.389252  1
  S  S78  1  0.500000  0.166666  0.389253  1
  S  S79  1  0.583333  0.291666  0.389252  1
  S  S80  1  0.666666  0.416666  0.389252  1
  S  S81  1  0.750002  0.541670  0.389255  1
  S  S82  1  0.833460  0.666729  0.389387  1
  S  S83  1  0.916517  0.791742  0.389356  1
  S  S84  1  -0.000000  0.916539  0.389388  1
  S  S85  1  0.583333  0.041665  0.389252  1
  S  S86  1  0.666667  0.166666  0.389253  1
  S  S87  1  0.750000  0.291666  0.389253  1
  S  S88  1  0.833336  0.416659  0.389244  1
  S  S89  1  0.916674  0.541638  0.389281  1
  S  S90  1  0.000000  0.666516  0.389362  1
  S  S91  1  0.749993  0.041667  0.389244  1
  S  S92  1  0.833334  0.166666  0.389252  1
  S  S93  1  0.916667  0.291666  0.389253  1
  S  S94  1  0.000000  0.416670  0.389245  1
  S  S95  1  0.916670  0.041662  0.389255  1
  S  S96  1  -0.000000  0.166666  0.389252  1
  S  S97  1  0.083483  0.791742  0.610644  1
  S  S98  1  0.166698  0.916674  0.610720  1
  S  S99  1  0.083326  0.541638  0.610719  1
  S  S100  1  0.166540  0.666729  0.610613  1
  S  S101  1  0.250024  0.791686  0.610721  1
  S  S102  1  0.333330  0.916664  0.610755  1
  S  S103  1  0.083333  0.291666  0.610747  1
  S  S104  1  0.166664  0.416659  0.610756  1
  S  S105  1  0.249998  0.541670  0.610745  1
  S  S106  1  0.333328  0.666666  0.610744  1
  S  S107  1  0.416673  0.791671  0.610755  1
  S  S108  1  0.500000  0.916666  0.610748  1
  S  S109  1  0.083330  0.041662  0.610745  1
  S  S110  1  0.166666  0.166666  0.610748  1
  S  S111  1  0.250000  0.291666  0.610747  1
  S  S112  1  0.333334  0.416666  0.610748  1
  S  S113  1  0.416667  0.541665  0.610747  1
  S  S114  1  0.500000  0.666663  0.610749  1
  S  S115  1  0.583327  0.791671  0.610755  1
  S  S116  1  0.666670  0.916664  0.610755  1
  S  S117  1  0.250007  0.041667  0.610756  1
  S  S118  1  0.333333  0.166666  0.610747  1
  S  S119  1  0.416667  0.291666  0.610748  1
  S  S120  1  0.500000  0.416665  0.610748  1
  S  S121  1  0.583333  0.541665  0.610747  1
  S  S122  1  0.666672  0.666666  0.610744  1
  S  S123  1  0.749976  0.791686  0.610721  1
  S  S124  1  0.833302  0.916674  0.610720  1
  S  S125  1  0.416667  0.041665  0.610748  1
  S  S126  1  0.500000  0.166666  0.610747  1
  S  S127  1  0.583333  0.291666  0.610748  1
  S  S128  1  0.666666  0.416666  0.610748  1
  S  S129  1  0.750002  0.541670  0.610745  1
  S  S130  1  0.833460  0.666729  0.610613  1
  S  S131  1  0.916517  0.791742  0.610644  1
  S  S132  1  -0.000000  0.916539  0.610612  1
  S  S133  1  0.583333  0.041665  0.610748  1
  S  S134  1  0.666667  0.166666  0.610747  1
  S  S135  1  0.750000  0.291666  0.610747  1
  S  S136  1  0.833336  0.416659  0.610756  1
  S  S137  1  0.916674  0.541638  0.610719  1
  S  S138  1  -0.000000  0.666516  0.610638  1
  S  S139  1  0.749993  0.041667  0.610756  1
  S  S140  1  0.833334  0.166666  0.610748  1
  S  S141  1  0.916667  0.291666  0.610747  1
  S  S142  1  0.000000  0.416670  0.610755  1
  S  S143  1  0.916670  0.041662  0.610745  1
  S  S144  1  0.000000  0.166666  0.610748  1
