# generated using pymatgen
data_MoW48S95
_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   MoW48S95
_chemical_formula_sum   'Mo1 W48 S95'
_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  0.083333  0.792138  0.385377  1
  W  W2  1  0.002478  0.751201  0.512230  1
  W  W3  1  0.083333  0.872733  0.512597  1
  W  W4  1  -0.000155  0.500058  0.500258  1
  W  W5  1  0.083333  0.624204  0.505819  1
  W  W6  1  0.164188  0.751201  0.512230  1
  W  W7  1  0.250830  0.875348  0.505604  1
  W  W8  1  0.000090  0.249928  0.498140  1
  W  W9  1  0.083333  0.375125  0.498610  1
  W  W10  1  0.166821  0.500058  0.500258  1
  W  W11  1  0.249452  0.625554  0.502028  1
  W  W12  1  0.332557  0.750155  0.501773  1
  W  W13  1  0.416800  0.874724  0.499937  1
  W  W14  1  0.000239  -0.000696  0.502264  1
  W  W15  1  0.083333  0.124533  0.499456  1
  W  W16  1  0.166577  0.249928  0.498140  1
  W  W17  1  0.249952  0.375126  0.498033  1
  W  W18  1  0.333223  0.500421  0.498450  1
  W  W19  1  0.416265  0.625321  0.498872  1
  W  W20  1  0.499817  0.749844  0.498355  1
  W  W21  1  0.583333  0.874673  0.498333  1
  W  W22  1  0.166428  -0.000696  0.502264  1
  W  W23  1  0.249707  0.124743  0.498756  1
  W  W24  1  0.333169  0.249940  0.497532  1
  W  W25  1  0.416539  0.375238  0.497260  1
  W  W26  1  0.499908  0.500337  0.497470  1
  W  W27  1  0.583333  0.625186  0.497783  1
  W  W28  1  0.666850  0.749844  0.498355  1
  W  W29  1  0.749867  0.874724  0.499936  1
  W  W30  1  0.333264  0.000002  0.500163  1
  W  W31  1  0.416519  0.124858  0.497978  1
  W  W32  1  0.499899  0.250006  0.497123  1
  W  W33  1  0.583333  0.375261  0.496980  1
  W  W34  1  0.666759  0.500337  0.497470  1
  W  W35  1  0.750402  0.625321  0.498872  1
  W  W36  1  0.834110  0.750155  0.501772  1
  W  W37  1  0.915837  0.875348  0.505603  1
  W  W38  1  0.499931  -0.000304  0.498496  1
  W  W39  1  0.583333  0.124790  0.497633  1
  W  W40  1  0.666768  0.250006  0.497123  1
  W  W41  1  0.750127  0.375238  0.497260  1
  W  W42  1  0.833444  0.500421  0.498449  1
  W  W43  1  0.917215  0.625555  0.502028  1
  W  W44  1  0.666736  -0.000305  0.498496  1
  W  W45  1  0.750147  0.124858  0.497978  1
  W  W46  1  0.833498  0.249940  0.497531  1
  W  W47  1  0.916715  0.375126  0.498032  1
  W  W48  1  0.833403  0.000001  0.500162  1
  W  W49  1  0.916960  0.124743  0.498755  1
  S  S50  1  0.165333  0.912848  0.394835  1
  S  S51  1  0.083333  0.542768  0.391362  1
  S  S52  1  0.163438  0.669519  0.394819  1
  S  S53  1  0.245376  0.792646  0.394504  1
  S  S54  1  0.332296  0.916059  0.391106  1
  S  S55  1  0.083333  0.291826  0.387621  1
  S  S56  1  0.166476  0.417395  0.388173  1
  S  S57  1  0.249096  0.543114  0.389479  1
  S  S58  1  0.331731  0.667452  0.389937  1
  S  S59  1  0.415032  0.791486  0.389158  1
  S  S60  1  0.499524  0.916154  0.388002  1
  S  S61  1  0.083333  0.040128  0.390409  1
  S  S62  1  0.166284  0.166042  0.388067  1
  S  S63  1  0.249656  0.291727  0.387261  1
  S  S64  1  0.332880  0.417306  0.387267  1
  S  S65  1  0.416080  0.542372  0.387489  1
  S  S66  1  0.499394  0.666798  0.387442  1
  S  S67  1  0.583333  0.791424  0.387457  1
  S  S68  1  0.667143  0.916154  0.388002  1
  S  S69  1  0.248970  0.040324  0.389660  1
  S  S70  1  0.332791  0.166128  0.387456  1
  S  S71  1  0.416347  0.291711  0.386784  1
  S  S72  1  0.499787  0.417086  0.386668  1
  S  S73  1  0.583333  0.542104  0.386850  1
  S  S74  1  0.667272  0.666798  0.387442  1
  S  S75  1  0.751634  0.791486  0.389157  1
  S  S76  1  0.834370  0.916058  0.391105  1
  S  S77  1  0.416083  0.041047  0.388087  1
  S  S78  1  0.499807  0.166279  0.387034  1
  S  S79  1  0.583334  0.291706  0.386649  1
  S  S80  1  0.666880  0.417086  0.386668  1
  S  S81  1  0.750587  0.542372  0.387489  1
  S  S82  1  0.834935  0.667452  0.389937  1
  S  S83  1  0.921291  0.792646  0.394504  1
  S  S84  1  0.001334  0.912848  0.394834  1
  S  S85  1  0.583333  0.041042  0.387546  1
  S  S86  1  0.666860  0.166279  0.387034  1
  S  S87  1  0.750320  0.291711  0.386784  1
  S  S88  1  0.833786  0.417306  0.387267  1
  S  S89  1  0.917570  0.543114  0.389479  1
  S  S90  1  0.003228  0.669519  0.394819  1
  S  S91  1  0.750583  0.041047  0.388087  1
  S  S92  1  0.833875  0.166128  0.387456  1
  S  S93  1  0.917012  0.291727  0.387261  1
  S  S94  1  0.000191  0.417395  0.388173  1
  S  S95  1  0.917696  0.040324  0.389659  1
  S  S96  1  0.000383  0.166042  0.388067  1
  S  S97  1  0.083333  0.791642  0.629077  1
  S  S98  1  0.169220  0.917994  0.617176  1
  S  S99  1  0.083333  0.539338  0.612780  1
  S  S100  1  0.166883  0.664215  0.617078  1
  S  S101  1  0.252638  0.792717  0.616851  1
  S  S102  1  0.335778  0.917675  0.612511  1
  S  S103  1  0.083333  0.291571  0.608877  1
  S  S104  1  0.166951  0.416070  0.609650  1
  S  S105  1  0.250652  0.541242  0.610879  1
  S  S106  1  0.333827  0.666535  0.611540  1
  S  S107  1  0.417520  0.791308  0.610622  1
  S  S108  1  0.500667  0.916535  0.609624  1
  S  S109  1  0.083333  0.042011  0.612003  1
  S  S110  1  0.166696  0.166816  0.609424  1
  S  S111  1  0.250107  0.291630  0.608431  1
  S  S112  1  0.333505  0.416713  0.608449  1
  S  S113  1  0.416893  0.541721  0.608930  1
  S  S114  1  0.500189  0.666600  0.609036  1
  S  S115  1  0.583333  0.791363  0.609005  1
  S  S116  1  0.666000  0.916535  0.609623  1
  S  S117  1  0.250280  0.042268  0.611002  1
  S  S118  1  0.333358  0.166796  0.608613  1
  S  S119  1  0.416667  0.291793  0.607718  1
  S  S120  1  0.500017  0.416836  0.607703  1
  S  S121  1  0.583333  0.541802  0.608184  1
  S  S122  1  0.666478  0.666600  0.609036  1
  S  S123  1  0.749146  0.791308  0.610622  1
  S  S124  1  0.830889  0.917675  0.612511  1
  S  S125  1  0.417215  0.042045  0.609531  1
  S  S126  1  0.500053  0.166794  0.608008  1
  S  S127  1  0.583333  0.291831  0.607407  1
  S  S128  1  0.666649  0.416836  0.607703  1
  S  S129  1  0.749773  0.541721  0.608930  1
  S  S130  1  0.832840  0.666535  0.611540  1
  S  S131  1  0.914029  0.792717  0.616850  1
  S  S132  1  -0.002554  0.917994  0.617176  1
  S  S133  1  0.583334  0.041643  0.608749  1
  S  S134  1  0.666614  0.166794  0.608008  1
  S  S135  1  0.750001  0.291793  0.607718  1
  S  S136  1  0.833162  0.416713  0.608448  1
  S  S137  1  0.916014  0.541242  0.610879  1
  S  S138  1  -0.000216  0.664215  0.617078  1
  S  S139  1  0.749451  0.042044  0.609530  1
  S  S140  1  0.833309  0.166797  0.608613  1
  S  S141  1  0.916560  0.291630  0.608431  1
  S  S142  1  -0.000284  0.416070  0.609650  1
  S  S143  1  0.916387  0.042268  0.611001  1
  S  S144  1  -0.000030  0.166816  0.609424  1
