# 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  0.792650  0.348142  1
  W  W2  1  0.002222  0.749197  0.501300  1
  W  W3  1  0.083334  0.874987  0.499629  1
  W  W4  1  -0.000209  0.499803  0.500593  1
  W  W5  1  0.083333  0.625742  0.501135  1
  W  W6  1  0.164444  0.749198  0.501301  1
  W  W7  1  0.249127  0.875377  0.500298  1
  W  W8  1  -0.000020  0.250270  0.500256  1
  W  W9  1  0.083333  0.375348  0.500380  1
  W  W10  1  0.166875  0.499803  0.500593  1
  W  W11  1  0.250183  0.624675  0.500460  1
  W  W12  1  0.333349  0.749836  0.499851  1
  W  W13  1  0.416681  0.874814  0.500202  1
  W  W14  1  0.000016  0.000687  0.500547  1
  W  W15  1  0.083333  0.125656  0.500543  1
  W  W16  1  0.166686  0.250270  0.500256  1
  W  W17  1  0.249935  0.375125  0.500273  1
  W  W18  1  0.333543  0.499952  0.500285  1
  W  W19  1  0.416950  0.624690  0.500333  1
  W  W20  1  0.499927  0.749845  0.500259  1
  W  W21  1  0.583333  0.874863  0.500443  1
  W  W22  1  0.166651  0.000687  0.500548  1
  W  W23  1  0.250007  0.125307  0.500375  1
  W  W24  1  0.333385  0.250161  0.500031  1
  W  W25  1  0.416803  0.374855  0.499960  1
  W  W26  1  0.499973  0.499842  0.500119  1
  W  W27  1  0.583333  0.624908  0.500252  1
  W  W28  1  0.666739  0.749845  0.500259  1
  W  W29  1  0.749986  0.874814  0.500201  1
  W  W30  1  0.333381  0.000132  0.500408  1
  W  W31  1  0.416704  0.124876  0.500154  1
  W  W32  1  0.499920  0.249876  0.499802  1
  W  W33  1  0.583333  0.374910  0.499845  1
  W  W34  1  0.666694  0.499842  0.500119  1
  W  W35  1  0.749716  0.624690  0.500333  1
  W  W36  1  0.833317  0.749836  0.499851  1
  W  W37  1  0.917540  0.875377  0.500298  1
  W  W38  1  0.499882  -0.000188  0.500294  1
  W  W39  1  0.583333  0.124871  0.500004  1
  W  W40  1  0.666746  0.249876  0.499802  1
  W  W41  1  0.749864  0.374855  0.499960  1
  W  W42  1  0.833123  0.499951  0.500285  1
  W  W43  1  0.916484  0.624675  0.500460  1
  W  W44  1  0.666784  -0.000188  0.500294  1
  W  W45  1  0.749962  0.124876  0.500154  1
  W  W46  1  0.833281  0.250161  0.500031  1
  W  W47  1  0.916732  0.375125  0.500273  1
  W  W48  1  0.833286  0.000132  0.500408  1
  W  W49  1  0.916660  0.125307  0.500375  1
  S  S50  1  0.166789  0.917587  0.389400  1
  S  S51  1  0.083333  0.542088  0.390381  1
  S  S52  1  0.166464  0.665969  0.389822  1
  S  S53  1  0.248748  0.791695  0.390470  1
  S  S54  1  0.333052  0.916570  0.389726  1
  S  S55  1  0.083333  0.292066  0.389495  1
  S  S56  1  0.166593  0.416800  0.389436  1
  S  S57  1  0.250060  0.541321  0.389617  1
  S  S58  1  0.333558  0.666363  0.389496  1
  S  S59  1  0.416760  0.791638  0.389223  1
  S  S60  1  0.500037  0.916524  0.389524  1
  S  S61  1  0.083333  0.042426  0.389799  1
  S  S62  1  0.166661  0.166986  0.389513  1
  S  S63  1  0.249985  0.291845  0.389321  1
  S  S64  1  0.333356  0.416673  0.389407  1
  S  S65  1  0.416758  0.541541  0.389290  1
  S  S66  1  0.500033  0.666535  0.389446  1
  S  S67  1  0.583333  0.791513  0.389568  1
  S  S68  1  0.666629  0.916524  0.389524  1
  S  S69  1  0.250201  0.041991  0.389670  1
  S  S70  1  0.333332  0.166701  0.389415  1
  S  S71  1  0.416633  0.291628  0.388984  1
  S  S72  1  0.500006  0.416593  0.389079  1
  S  S73  1  0.583333  0.541569  0.389395  1
  S  S74  1  0.666633  0.666535  0.389446  1
  S  S75  1  0.749907  0.791638  0.389223  1
  S  S76  1  0.833615  0.916570  0.389726  1
  S  S77  1  0.416681  0.041516  0.389408  1
  S  S78  1  0.499980  0.166454  0.389138  1
  S  S79  1  0.583333  0.291513  0.389003  1
  S  S80  1  0.666661  0.416593  0.389079  1
  S  S81  1  0.749908  0.541541  0.389290  1
  S  S82  1  0.833109  0.666363  0.389496  1
  S  S83  1  0.917919  0.791695  0.390470  1
  S  S84  1  -0.000122  0.917587  0.389400  1
  S  S85  1  0.583333  0.041330  0.389497  1
  S  S86  1  0.666687  0.166454  0.389138  1
  S  S87  1  0.750034  0.291628  0.388984  1
  S  S88  1  0.833310  0.416673  0.389407  1
  S  S89  1  0.916606  0.541321  0.389617  1
  S  S90  1  0.000202  0.665969  0.389821  1
  S  S91  1  0.749985  0.041516  0.389408  1
  S  S92  1  0.833335  0.166701  0.389415  1
  S  S93  1  0.916681  0.291845  0.389321  1
  S  S94  1  0.000074  0.416800  0.389436  1
  S  S95  1  0.916466  0.041991  0.389670  1
  S  S96  1  0.000006  0.166986  0.389513  1
  S  S97  1  0.083333  0.792224  0.610872  1
  S  S98  1  0.166402  0.917138  0.611174  1
  S  S99  1  0.083333  0.541703  0.611179  1
  S  S100  1  0.167464  0.666503  0.612144  1
  S  S101  1  0.249398  0.791215  0.610595  1
  S  S102  1  0.333089  0.916478  0.610743  1
  S  S103  1  0.083333  0.291946  0.611044  1
  S  S104  1  0.166762  0.416650  0.611446  1
  S  S105  1  0.250280  0.541315  0.611400  1
  S  S106  1  0.333627  0.666636  0.610804  1
  S  S107  1  0.416529  0.791556  0.611020  1
  S  S108  1  0.499903  0.916500  0.611188  1
  S  S109  1  0.083333  0.042334  0.611341  1
  S  S110  1  0.166761  0.167091  0.611312  1
  S  S111  1  0.250108  0.291789  0.611007  1
  S  S112  1  0.333525  0.416549  0.610915  1
  S  S113  1  0.416886  0.541495  0.611250  1
  S  S114  1  0.500034  0.666514  0.611203  1
  S  S115  1  0.583333  0.791440  0.611112  1
  S  S116  1  0.666763  0.916500  0.611188  1
  S  S117  1  0.250276  0.042045  0.611327  1
  S  S118  1  0.333469  0.166844  0.610934  1
  S  S119  1  0.416789  0.291607  0.610820  1
  S  S120  1  0.500097  0.416454  0.610826  1
  S  S121  1  0.583333  0.541466  0.610947  1
  S  S122  1  0.666632  0.666514  0.611203  1
  S  S123  1  0.750138  0.791556  0.611020  1
  S  S124  1  0.833578  0.916478  0.610743  1
  S  S125  1  0.416693  0.041659  0.611215  1
  S  S126  1  0.500087  0.166626  0.610778  1
  S  S127  1  0.583333  0.291496  0.610512  1
  S  S128  1  0.666570  0.416453  0.610826  1
  S  S129  1  0.749780  0.541495  0.611250  1
  S  S130  1  0.833039  0.666636  0.610804  1
  S  S131  1  0.917269  0.791215  0.610595  1
  S  S132  1  0.000266  0.917138  0.611173  1
  S  S133  1  0.583333  0.041529  0.610908  1
  S  S134  1  0.666580  0.166626  0.610778  1
  S  S135  1  0.749878  0.291607  0.610820  1
  S  S136  1  0.833141  0.416549  0.610915  1
  S  S137  1  0.916386  0.541315  0.611400  1
  S  S138  1  -0.000798  0.666503  0.612145  1
  S  S139  1  0.749973  0.041659  0.611215  1
  S  S140  1  0.833198  0.166844  0.610934  1
  S  S141  1  0.916558  0.291789  0.611007  1
  S  S142  1  -0.000095  0.416650  0.611446  1
  S  S143  1  0.916391  0.042045  0.611326  1
  S  S144  1  -0.000094  0.167091  0.611312  1
