# 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  0.791811  0.344561  1
  W  W2  1  0.002462  0.750709  0.503159  1
  W  W3  1  0.083333  0.873368  0.502928  1
  W  W4  1  -0.000066  0.500238  0.500249  1
  W  W5  1  0.083333  0.626369  0.501698  1
  W  W6  1  0.164205  0.750709  0.503159  1
  W  W7  1  0.248518  0.874421  0.501515  1
  W  W8  1  0.000033  0.250162  0.499969  1
  W  W9  1  0.083333  0.375548  0.500054  1
  W  W10  1  0.166733  0.500238  0.500249  1
  W  W11  1  0.250121  0.625126  0.500144  1
  W  W12  1  0.333207  0.749841  0.500093  1
  W  W13  1  0.416665  0.874743  0.500129  1
  W  W14  1  0.000178  0.000056  0.500253  1
  W  W15  1  0.083333  0.125356  0.500070  1
  W  W16  1  0.166634  0.250162  0.499969  1
  W  W17  1  0.249814  0.375275  0.499991  1
  W  W18  1  0.333284  0.500332  0.499908  1
  W  W19  1  0.416922  0.624919  0.500023  1
  W  W20  1  0.499834  0.749849  0.499908  1
  W  W21  1  0.583333  0.874822  0.499994  1
  W  W22  1  0.166488  0.000056  0.500253  1
  W  W23  1  0.249690  0.124887  0.499925  1
  W  W24  1  0.333189  0.250087  0.499910  1
  W  W25  1  0.416628  0.375066  0.499951  1
  W  W26  1  0.499918  0.500062  0.499994  1
  W  W27  1  0.583333  0.625081  0.500004  1
  W  W28  1  0.666833  0.749849  0.499908  1
  W  W29  1  0.750002  0.874743  0.500129  1
  W  W30  1  0.333114  -0.000085  0.500226  1
  W  W31  1  0.416535  0.124752  0.499998  1
  W  W32  1  0.499812  0.249895  0.499949  1
  W  W33  1  0.583333  0.375032  0.500003  1
  W  W34  1  0.666749  0.500062  0.499994  1
  W  W35  1  0.749744  0.624919  0.500023  1
  W  W36  1  0.833460  0.749841  0.500093  1
  W  W37  1  0.918149  0.874421  0.501515  1
  W  W38  1  0.499663  -0.000399  0.500004  1
  W  W39  1  0.583333  0.124720  0.499946  1
  W  W40  1  0.666854  0.249895  0.499949  1
  W  W41  1  0.750039  0.375066  0.499951  1
  W  W42  1  0.833382  0.500332  0.499908  1
  W  W43  1  0.916546  0.625126  0.500144  1
  W  W44  1  0.667004  -0.000399  0.500004  1
  W  W45  1  0.750132  0.124752  0.499998  1
  W  W46  1  0.833478  0.250087  0.499910  1
  W  W47  1  0.916852  0.375275  0.499991  1
  W  W48  1  0.833553  -0.000085  0.500226  1
  W  W49  1  0.916977  0.124887  0.499925  1
  S  S50  1  0.166206  0.915790  0.390719  1
  S  S51  1  0.083333  0.542858  0.390380  1
  S  S52  1  0.165819  0.667357  0.390858  1
  S  S53  1  0.248434  0.791832  0.390929  1
  S  S54  1  0.332260  0.916015  0.390344  1
  S  S55  1  0.083333  0.292076  0.389473  1
  S  S56  1  0.166533  0.417109  0.389297  1
  S  S57  1  0.249798  0.541831  0.389259  1
  S  S58  1  0.333390  0.666651  0.389392  1
  S  S59  1  0.416517  0.791649  0.389191  1
  S  S60  1  0.499826  0.916389  0.389198  1
  S  S61  1  0.083333  0.041795  0.389559  1
  S  S62  1  0.166581  0.166780  0.389249  1
  S  S63  1  0.249895  0.291860  0.389326  1
  S  S64  1  0.333243  0.416884  0.389433  1
  S  S65  1  0.416661  0.541771  0.389206  1
  S  S66  1  0.500008  0.666644  0.389150  1
  S  S67  1  0.583333  0.791489  0.389252  1
  S  S68  1  0.666841  0.916389  0.389198  1
  S  S69  1  0.249941  0.041459  0.389342  1
  S  S70  1  0.333146  0.166540  0.389491  1
  S  S71  1  0.416538  0.291684  0.389374  1
  S  S72  1  0.499973  0.416713  0.389412  1
  S  S73  1  0.583333  0.541717  0.389431  1
  S  S74  1  0.666658  0.666644  0.389150  1
  S  S75  1  0.750150  0.791649  0.389191  1
  S  S76  1  0.834406  0.916015  0.390344  1
  S  S77  1  0.416411  0.041291  0.389378  1
  S  S78  1  0.499906  0.166447  0.389479  1
  S  S79  1  0.583333  0.291565  0.389592  1
  S  S80  1  0.666694  0.416713  0.389412  1
  S  S81  1  0.750005  0.541771  0.389206  1
  S  S82  1  0.833277  0.666651  0.389392  1
  S  S83  1  0.918233  0.791832  0.390929  1
  S  S84  1  0.000461  0.915790  0.390719  1
  S  S85  1  0.583333  0.041176  0.389556  1
  S  S86  1  0.666760  0.166447  0.389479  1
  S  S87  1  0.750129  0.291684  0.389374  1
  S  S88  1  0.833424  0.416884  0.389433  1
  S  S89  1  0.916869  0.541831  0.389259  1
  S  S90  1  0.000848  0.667357  0.390858  1
  S  S91  1  0.750256  0.041291  0.389378  1
  S  S92  1  0.833520  0.166540  0.389491  1
  S  S93  1  0.916772  0.291860  0.389326  1
  S  S94  1  0.000134  0.417109  0.389297  1
  S  S95  1  0.916725  0.041459  0.389342  1
  S  S96  1  0.000086  0.166780  0.389249  1
  S  S97  1  0.083333  0.791823  0.615104  1
  S  S98  1  0.165982  0.917137  0.612597  1
  S  S99  1  0.083333  0.542009  0.610911  1
  S  S100  1  0.167563  0.666980  0.612586  1
  S  S101  1  0.249895  0.790832  0.612292  1
  S  S102  1  0.333019  0.916377  0.610718  1
  S  S103  1  0.083333  0.291976  0.610497  1
  S  S104  1  0.166692  0.416976  0.610895  1
  S  S105  1  0.250079  0.541770  0.610997  1
  S  S106  1  0.333555  0.666616  0.610768  1
  S  S107  1  0.416632  0.791501  0.610938  1
  S  S108  1  0.499969  0.916356  0.610858  1
  S  S109  1  0.083333  0.041960  0.610821  1
  S  S110  1  0.166598  0.166808  0.610774  1
  S  S111  1  0.249905  0.291847  0.610556  1
  S  S112  1  0.333262  0.416906  0.610446  1
  S  S113  1  0.416663  0.541782  0.610810  1
  S  S114  1  0.499985  0.666658  0.610847  1
  S  S115  1  0.583333  0.791444  0.610581  1
  S  S116  1  0.666697  0.916356  0.610858  1
  S  S117  1  0.249906  0.041697  0.610995  1
  S  S118  1  0.333109  0.166585  0.610393  1
  S  S119  1  0.416519  0.291686  0.610527  1
  S  S120  1  0.499950  0.416708  0.610570  1
  S  S121  1  0.583333  0.541710  0.610601  1
  S  S122  1  0.666682  0.666658  0.610847  1
  S  S123  1  0.750034  0.791501  0.610938  1
  S  S124  1  0.833647  0.916377  0.610718  1
  S  S125  1  0.416470  0.041448  0.610786  1
  S  S126  1  0.499944  0.166456  0.610452  1
  S  S127  1  0.583333  0.291544  0.610392  1
  S  S128  1  0.666717  0.416708  0.610570  1
  S  S129  1  0.750003  0.541782  0.610810  1
  S  S130  1  0.833112  0.666616  0.610768  1
  S  S131  1  0.916772  0.790832  0.612292  1
  S  S132  1  0.000684  0.917137  0.612597  1
  S  S133  1  0.583333  0.041269  0.610337  1
  S  S134  1  0.666723  0.166456  0.610452  1
  S  S135  1  0.750148  0.291686  0.610527  1
  S  S136  1  0.833404  0.416906  0.610446  1
  S  S137  1  0.916588  0.541770  0.610997  1
  S  S138  1  -0.000896  0.666980  0.612586  1
  S  S139  1  0.750197  0.041448  0.610786  1
  S  S140  1  0.833557  0.166585  0.610393  1
  S  S141  1  0.916762  0.291847  0.610556  1
  S  S142  1  -0.000025  0.416976  0.610895  1
  S  S143  1  0.916761  0.041697  0.610995  1
  S  S144  1  0.000069  0.166808  0.610774  1
