# generated using pymatgen
data_SbW48S95
_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   SbW48S95
_chemical_formula_sum   'Sb1 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
  Sb  Sb1  1  0.083333  0.791781  0.347140  1
  W  W2  1  0.001840  0.750585  0.502301  1
  W  W3  1  0.083333  0.873602  0.502054  1
  W  W4  1  -0.000136  0.500066  0.500259  1
  W  W5  1  0.083333  0.626002  0.501425  1
  W  W6  1  0.164827  0.750585  0.502301  1
  W  W7  1  0.249036  0.874620  0.501324  1
  W  W8  1  -0.000007  0.250153  0.499984  1
  W  W9  1  0.083333  0.375469  0.499990  1
  W  W10  1  0.166803  0.500066  0.500259  1
  W  W11  1  0.250255  0.624925  0.500323  1
  W  W12  1  0.333568  0.749800  0.500280  1
  W  W13  1  0.416812  0.874819  0.500184  1
  W  W14  1  0.000060  0.000293  0.500354  1
  W  W15  1  0.083333  0.125473  0.500208  1
  W  W16  1  0.166674  0.250153  0.499984  1
  W  W17  1  0.249813  0.375253  0.500003  1
  W  W18  1  0.333416  0.500118  0.500016  1
  W  W19  1  0.417061  0.624772  0.500193  1
  W  W20  1  0.499930  0.749838  0.499997  1
  W  W21  1  0.583333  0.874929  0.500009  1
  W  W22  1  0.166606  0.000293  0.500354  1
  W  W23  1  0.249842  0.125067  0.500029  1
  W  W24  1  0.333294  0.250148  0.499915  1
  W  W25  1  0.416742  0.374968  0.499963  1
  W  W26  1  0.499881  0.499961  0.500017  1
  W  W27  1  0.583333  0.624948  0.500036  1
  W  W28  1  0.666736  0.749838  0.499997  1
  W  W29  1  0.749855  0.874819  0.500184  1
  W  W30  1  0.333291  0.000056  0.500259  1
  W  W31  1  0.416619  0.124784  0.500002  1
  W  W32  1  0.499818  0.249927  0.499966  1
  W  W33  1  0.583333  0.374970  0.500012  1
  W  W34  1  0.666785  0.499961  0.500017  1
  W  W35  1  0.749606  0.624772  0.500193  1
  W  W36  1  0.833098  0.749800  0.500280  1
  W  W37  1  0.917631  0.874620  0.501323  1
  W  W38  1  0.499739  -0.000255  0.499943  1
  W  W39  1  0.583333  0.124876  0.499935  1
  W  W40  1  0.666848  0.249926  0.499966  1
  W  W41  1  0.749924  0.374968  0.499963  1
  W  W42  1  0.833251  0.500118  0.500016  1
  W  W43  1  0.916412  0.624925  0.500323  1
  W  W44  1  0.666928  -0.000255  0.499943  1
  W  W45  1  0.750048  0.124784  0.500002  1
  W  W46  1  0.833372  0.250148  0.499915  1
  W  W47  1  0.916854  0.375253  0.500003  1
  W  W48  1  0.833376  0.000056  0.500259  1
  W  W49  1  0.916825  0.125067  0.500029  1
  S  S50  1  0.166470  0.916363  0.390670  1
  S  S51  1  0.083333  0.542600  0.390203  1
  S  S52  1  0.166341  0.666951  0.390698  1
  S  S53  1  0.249315  0.791688  0.390848  1
  S  S54  1  0.332534  0.916196  0.390157  1
  S  S55  1  0.083333  0.292030  0.389397  1
  S  S56  1  0.166563  0.416988  0.389178  1
  S  S57  1  0.249944  0.541630  0.389361  1
  S  S58  1  0.333571  0.666519  0.389516  1
  S  S59  1  0.416731  0.791685  0.389275  1
  S  S60  1  0.499885  0.916524  0.389167  1
  S  S61  1  0.083333  0.041966  0.389596  1
  S  S62  1  0.166600  0.166817  0.389261  1
  S  S63  1  0.249971  0.291846  0.389273  1
  S  S64  1  0.333329  0.416795  0.389360  1
  S  S65  1  0.416724  0.541661  0.389178  1
  S  S66  1  0.500031  0.666561  0.389184  1
  S  S67  1  0.583333  0.791493  0.389266  1
  S  S68  1  0.666782  0.916524  0.389167  1
  S  S69  1  0.250099  0.041659  0.389427  1
  S  S70  1  0.333240  0.166629  0.389389  1
  S  S71  1  0.416600  0.291696  0.389208  1
  S  S72  1  0.500020  0.416636  0.389280  1
  S  S73  1  0.583333  0.541584  0.389371  1
  S  S74  1  0.666636  0.666561  0.389184  1
  S  S75  1  0.749935  0.791685  0.389275  1
  S  S76  1  0.834132  0.916196  0.390157  1
  S  S77  1  0.416512  0.041454  0.389228  1
  S  S78  1  0.499949  0.166543  0.389336  1
  S  S79  1  0.583333  0.291553  0.389444  1
  S  S80  1  0.666647  0.416636  0.389280  1
  S  S81  1  0.749943  0.541661  0.389178  1
  S  S82  1  0.833095  0.666519  0.389516  1
  S  S83  1  0.917352  0.791688  0.390848  1
  S  S84  1  0.000196  0.916363  0.390670  1
  S  S85  1  0.583333  0.041345  0.389413  1
  S  S86  1  0.666718  0.166543  0.389336  1
  S  S87  1  0.750066  0.291696  0.389208  1
  S  S88  1  0.833338  0.416795  0.389360  1
  S  S89  1  0.916723  0.541630  0.389361  1
  S  S90  1  0.000325  0.666951  0.390698  1
  S  S91  1  0.750154  0.041454  0.389228  1
  S  S92  1  0.833427  0.166629  0.389389  1
  S  S93  1  0.916696  0.291846  0.389273  1
  S  S94  1  0.000104  0.416988  0.389178  1
  S  S95  1  0.916568  0.041659  0.389427  1
  S  S96  1  0.000066  0.166817  0.389261  1
  S  S97  1  0.083333  0.791766  0.613520  1
  S  S98  1  0.166122  0.917170  0.612068  1
  S  S99  1  0.083333  0.541884  0.610986  1
  S  S100  1  0.167507  0.666833  0.612183  1
  S  S101  1  0.250107  0.790952  0.611940  1
  S  S102  1  0.333216  0.916504  0.610899  1
  S  S103  1  0.083333  0.291977  0.610548  1
  S  S104  1  0.166678  0.416847  0.611004  1
  S  S105  1  0.250131  0.541487  0.611116  1
  S  S106  1  0.333723  0.666481  0.610909  1
  S  S107  1  0.416919  0.791634  0.611089  1
  S  S108  1  0.500038  0.916534  0.610908  1
  S  S109  1  0.083333  0.042097  0.610944  1
  S  S110  1  0.166663  0.166900  0.610933  1
  S  S111  1  0.249988  0.291837  0.610633  1
  S  S112  1  0.333340  0.416754  0.610593  1
  S  S113  1  0.416751  0.541605  0.611011  1
  S  S114  1  0.500080  0.666579  0.610985  1
  S  S115  1  0.583333  0.791519  0.610657  1
  S  S116  1  0.666628  0.916534  0.610908  1
  S  S117  1  0.250156  0.041868  0.611085  1
  S  S118  1  0.333274  0.166688  0.610538  1
  S  S119  1  0.416592  0.291688  0.610696  1
  S  S120  1  0.500012  0.416611  0.610705  1
  S  S121  1  0.583333  0.541572  0.610691  1
  S  S122  1  0.666586  0.666578  0.610985  1
  S  S123  1  0.749748  0.791634  0.611089  1
  S  S124  1  0.833450  0.916504  0.610899  1
  S  S125  1  0.416617  0.041577  0.610927  1
  S  S126  1  0.500000  0.166544  0.610586  1
  S  S127  1  0.583333  0.291532  0.610521  1
  S  S128  1  0.666654  0.416611  0.610705  1
  S  S129  1  0.749915  0.541605  0.611011  1
  S  S130  1  0.832944  0.666481  0.610909  1
  S  S131  1  0.916559  0.790952  0.611940  1
  S  S132  1  0.000545  0.917170  0.612068  1
  S  S133  1  0.583333  0.041405  0.610407  1
  S  S134  1  0.666667  0.166544  0.610586  1
  S  S135  1  0.750075  0.291688  0.610696  1
  S  S136  1  0.833327  0.416754  0.610593  1
  S  S137  1  0.916536  0.541487  0.611116  1
  S  S138  1  -0.000840  0.666833  0.612183  1
  S  S139  1  0.750050  0.041577  0.610927  1
  S  S140  1  0.833393  0.166688  0.610538  1
  S  S141  1  0.916678  0.291837  0.610633  1
  S  S142  1  -0.000011  0.416847  0.611004  1
  S  S143  1  0.916510  0.041868  0.611084  1
  S  S144  1  0.000003  0.166900  0.610933  1
