# 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  0.791779  0.348803  1
  W  W2  1  0.000662  0.750148  0.501027  1
  W  W3  1  0.083333  0.874627  0.500860  1
  W  W4  1  -0.000109  0.499947  0.500429  1
  W  W5  1  0.083333  0.625501  0.500794  1
  W  W6  1  0.166004  0.750148  0.501027  1
  W  W7  1  0.249490  0.874829  0.500633  1
  W  W8  1  -0.000020  0.250171  0.500106  1
  W  W9  1  0.083333  0.375189  0.500181  1
  W  W10  1  0.166776  0.499947  0.500429  1
  W  W11  1  0.250228  0.624836  0.500553  1
  W  W12  1  0.333580  0.749889  0.500483  1
  W  W13  1  0.416823  0.874913  0.500343  1
  W  W14  1  -0.000049  0.000338  0.500553  1
  W  W15  1  0.083333  0.125407  0.500365  1
  W  W16  1  0.166687  0.250171  0.500106  1
  W  W17  1  0.249955  0.375075  0.500126  1
  W  W18  1  0.333444  0.499955  0.500221  1
  W  W19  1  0.416939  0.624809  0.500349  1
  W  W20  1  0.500037  0.749884  0.500289  1
  W  W21  1  0.583333  0.874972  0.500309  1
  W  W22  1  0.166715  0.000338  0.500553  1
  W  W23  1  0.249980  0.125168  0.500229  1
  W  W24  1  0.333344  0.250106  0.499970  1
  W  W25  1  0.416731  0.374929  0.499949  1
  W  W26  1  0.500007  0.499878  0.500051  1
  W  W27  1  0.583333  0.624903  0.500182  1
  W  W28  1  0.666629  0.749884  0.500289  1
  W  W29  1  0.749844  0.874913  0.500343  1
  W  W30  1  0.333374  0.000128  0.500358  1
  W  W31  1  0.416686  0.124952  0.500060  1
  W  W32  1  0.499953  0.249929  0.499830  1
  W  W33  1  0.583333  0.374930  0.499867  1
  W  W34  1  0.666660  0.499878  0.500051  1
  W  W35  1  0.749727  0.624809  0.500349  1
  W  W36  1  0.833087  0.749889  0.500483  1
  W  W37  1  0.917177  0.874830  0.500633  1
  W  W38  1  0.499926  -0.000095  0.500159  1
  W  W39  1  0.583333  0.124938  0.499933  1
  W  W40  1  0.666714  0.249929  0.499830  1
  W  W41  1  0.749936  0.374929  0.499949  1
  W  W42  1  0.833223  0.499955  0.500221  1
  W  W43  1  0.916439  0.624836  0.500553  1
  W  W44  1  0.666740  -0.000095  0.500159  1
  W  W45  1  0.749981  0.124952  0.500060  1
  W  W46  1  0.833323  0.250106  0.499970  1
  W  W47  1  0.916712  0.375075  0.500126  1
  W  W48  1  0.833293  0.000128  0.500358  1
  W  W49  1  0.916687  0.125168  0.500229  1
  S  S50  1  0.166770  0.916797  0.389957  1
  S  S51  1  0.083333  0.541987  0.390048  1
  S  S52  1  0.166583  0.666533  0.390045  1
  S  S53  1  0.249908  0.791734  0.390056  1
  S  S54  1  0.333087  0.916518  0.389932  1
  S  S55  1  0.083333  0.291881  0.389354  1
  S  S56  1  0.166620  0.416787  0.389389  1
  S  S57  1  0.250021  0.541562  0.389610  1
  S  S58  1  0.333571  0.666515  0.389749  1
  S  S59  1  0.416797  0.791651  0.389547  1
  S  S60  1  0.500012  0.916598  0.389429  1
  S  S61  1  0.083333  0.042021  0.389820  1
  S  S62  1  0.166653  0.166842  0.389407  1
  S  S63  1  0.249979  0.291785  0.389241  1
  S  S64  1  0.333329  0.416688  0.389334  1
  S  S65  1  0.416724  0.541601  0.389364  1
  S  S66  1  0.500056  0.666581  0.389428  1
  S  S67  1  0.583333  0.791592  0.389527  1
  S  S68  1  0.666655  0.916598  0.389429  1
  S  S69  1  0.250099  0.041797  0.389606  1
  S  S70  1  0.333306  0.166692  0.389333  1
  S  S71  1  0.416634  0.291654  0.389068  1
  S  S72  1  0.499999  0.416615  0.389120  1
  S  S73  1  0.583333  0.541590  0.389318  1
  S  S74  1  0.666611  0.666581  0.389428  1
  S  S75  1  0.749870  0.791651  0.389547  1
  S  S76  1  0.833579  0.916518  0.389932  1
  S  S77  1  0.416650  0.041575  0.389361  1
  S  S78  1  0.499975  0.166550  0.389131  1
  S  S79  1  0.583333  0.291578  0.389064  1
  S  S80  1  0.666668  0.416615  0.389120  1
  S  S81  1  0.749942  0.541601  0.389364  1
  S  S82  1  0.833096  0.666515  0.389749  1
  S  S83  1  0.916758  0.791734  0.390057  1
  S  S84  1  -0.000103  0.916797  0.389957  1
  S  S85  1  0.583333  0.041473  0.389352  1
  S  S86  1  0.666691  0.166550  0.389131  1
  S  S87  1  0.750032  0.291654  0.389068  1
  S  S88  1  0.833337  0.416688  0.389334  1
  S  S89  1  0.916646  0.541562  0.389610  1
  S  S90  1  0.000083  0.666533  0.390045  1
  S  S91  1  0.750017  0.041575  0.389361  1
  S  S92  1  0.833360  0.166692  0.389333  1
  S  S93  1  0.916688  0.291785  0.389241  1
  S  S94  1  0.000047  0.416787  0.389389  1
  S  S95  1  0.916568  0.041797  0.389606  1
  S  S96  1  0.000013  0.166842  0.389407  1
  S  S97  1  0.083333  0.791759  0.610613  1
  S  S98  1  0.166431  0.916964  0.611575  1
  S  S99  1  0.083333  0.541762  0.611041  1
  S  S100  1  0.167084  0.666732  0.611705  1
  S  S101  1  0.250045  0.791356  0.611499  1
  S  S102  1  0.333262  0.916600  0.610899  1
  S  S103  1  0.083333  0.291826  0.610877  1
  S  S104  1  0.166705  0.416646  0.611124  1
  S  S105  1  0.250162  0.541446  0.611256  1
  S  S106  1  0.333661  0.666510  0.611114  1
  S  S107  1  0.416869  0.791644  0.611217  1
  S  S108  1  0.500037  0.916658  0.611127  1
  S  S109  1  0.083333  0.042092  0.611154  1
  S  S110  1  0.166714  0.166958  0.611090  1
  S  S111  1  0.250055  0.291748  0.610865  1
  S  S112  1  0.333439  0.416567  0.610848  1
  S  S113  1  0.416835  0.541492  0.611080  1
  S  S114  1  0.500120  0.666539  0.611131  1
  S  S115  1  0.583333  0.791584  0.611047  1
  S  S116  1  0.666630  0.916658  0.611127  1
  S  S117  1  0.250180  0.041929  0.611223  1
  S  S118  1  0.333415  0.166801  0.610821  1
  S  S119  1  0.416734  0.291632  0.610729  1
  S  S120  1  0.500061  0.416516  0.610757  1
  S  S121  1  0.583333  0.541497  0.610865  1
  S  S122  1  0.666547  0.666539  0.611131  1
  S  S123  1  0.749798  0.791644  0.611217  1
  S  S124  1  0.833405  0.916600  0.610899  1
  S  S125  1  0.416721  0.041723  0.611040  1
  S  S126  1  0.500057  0.166654  0.610714  1
  S  S127  1  0.583333  0.291557  0.610555  1
  S  S128  1  0.666606  0.416516  0.610757  1
  S  S129  1  0.749832  0.541492  0.611080  1
  S  S130  1  0.833006  0.666510  0.611114  1
  S  S131  1  0.916622  0.791356  0.611499  1
  S  S132  1  0.000236  0.916964  0.611575  1
  S  S133  1  0.583333  0.041634  0.610794  1
  S  S134  1  0.666609  0.166654  0.610714  1
  S  S135  1  0.749933  0.291632  0.610729  1
  S  S136  1  0.833228  0.416567  0.610848  1
  S  S137  1  0.916505  0.541446  0.611256  1
  S  S138  1  -0.000418  0.666732  0.611705  1
  S  S139  1  0.749946  0.041723  0.611040  1
  S  S140  1  0.833252  0.166801  0.610821  1
  S  S141  1  0.916612  0.291748  0.610865  1
  S  S142  1  -0.000038  0.416646  0.611124  1
  S  S143  1  0.916487  0.041929  0.611223  1
  S  S144  1  -0.000047  0.166958  0.611090  1
