# generated using pymatgen
data_SbW47S96
_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   SbW47S96
_chemical_formula_sum   'Sb1 W47 S96'
_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  -0.000000  0.749721  0.500000  1
  W  W2  1  0.087565  0.878855  0.500000  1
  W  W3  1  -0.000000  0.497007  0.500000  1
  W  W4  1  0.085012  0.619721  0.500000  1
  W  W5  1  0.172451  0.751314  0.500000  1
  W  W6  1  0.252487  0.876562  0.500000  1
  W  W7  1  -0.000000  0.249050  0.500000  1
  W  W8  1  0.083646  0.373249  0.500000  1
  W  W9  1  0.167029  0.497614  0.500000  1
  W  W10  1  0.250166  0.624838  0.500000  1
  W  W11  1  0.335230  0.750967  0.500000  1
  W  W12  1  0.417601  0.875961  0.500000  1
  W  W13  1  -0.000000  0.000149  0.500000  1
  W  W14  1  0.083611  0.124861  0.500000  1
  W  W15  1  0.167035  0.249357  0.500000  1
  W  W16  1  0.250443  0.374074  0.500000  1
  W  W17  1  0.333511  0.499672  0.500000  1
  W  W18  1  0.416826  0.625066  0.500000  1
  W  W19  1  0.500000  0.750512  0.500000  1
  W  W20  1  0.582399  0.875961  0.499999  1
  W  W21  1  0.168702  0.001349  0.500000  1
  W  W22  1  0.250806  0.125572  0.500000  1
  W  W23  1  0.333775  0.250064  0.500000  1
  W  W24  1  0.416808  0.374981  0.500000  1
  W  W25  1  0.500000  0.500003  0.500000  1
  W  W26  1  0.583174  0.625066  0.500000  1
  W  W27  1  0.664771  0.750966  0.499999  1
  W  W28  1  0.747513  0.876562  0.499999  1
  W  W29  1  0.334467  0.001232  0.500000  1
  W  W30  1  0.417064  0.125739  0.500000  1
  W  W31  1  0.500000  0.250369  0.500000  1
  W  W32  1  0.583192  0.374981  0.500000  1
  W  W33  1  0.666489  0.499672  0.500000  1
  W  W34  1  0.749834  0.624838  0.500000  1
  W  W35  1  0.827549  0.751314  0.500000  1
  W  W36  1  0.912435  0.878855  0.500000  1
  W  W37  1  0.500000  0.000996  0.500000  1
  W  W38  1  0.582936  0.125739  0.500000  1
  W  W39  1  0.666225  0.250064  0.500000  1
  W  W40  1  0.749557  0.374074  0.500000  1
  W  W41  1  0.832971  0.497614  0.500000  1
  W  W42  1  0.914987  0.619721  0.500000  1
  W  W43  1  0.665533  0.001232  0.500000  1
  W  W44  1  0.749194  0.125572  0.500000  1
  W  W45  1  0.832965  0.249357  0.500000  1
  W  W46  1  0.916354  0.373249  0.500000  1
  W  W47  1  0.831298  0.001349  0.500000  1
  W  W48  1  0.916389  0.124861  0.500000  1
  S  S49  1  0.092893  0.796569  0.386568  1
  S  S50  1  0.169985  0.919104  0.388403  1
  S  S51  1  0.083976  0.537686  0.388525  1
  S  S52  1  0.166566  0.666639  0.390723  1
  S  S53  1  0.253750  0.793230  0.388432  1
  S  S54  1  0.334992  0.918035  0.388935  1
  S  S55  1  0.083494  0.290394  0.389108  1
  S  S56  1  0.167071  0.414877  0.389038  1
  S  S57  1  0.250074  0.541141  0.389585  1
  S  S58  1  0.333634  0.666867  0.389554  1
  S  S59  1  0.417672  0.792505  0.388963  1
  S  S60  1  0.500000  0.917797  0.388908  1
  S  S61  1  0.083748  0.041730  0.389463  1
  S  S62  1  0.166993  0.166389  0.389159  1
  S  S63  1  0.250356  0.291082  0.389120  1
  S  S64  1  0.333497  0.416409  0.389268  1
  S  S65  1  0.416682  0.541663  0.389360  1
  S  S66  1  0.500000  0.666836  0.389356  1
  S  S67  1  0.582328  0.792505  0.388963  1
  S  S68  1  0.665008  0.918035  0.388935  1
  S  S69  1  0.251344  0.042789  0.388903  1
  S  S70  1  0.333873  0.167122  0.389020  1
  S  S71  1  0.416840  0.291889  0.389098  1
  S  S72  1  0.500000  0.416750  0.389225  1
  S  S73  1  0.583318  0.541663  0.389360  1
  S  S74  1  0.666366  0.666867  0.389554  1
  S  S75  1  0.746250  0.793230  0.388432  1
  S  S76  1  0.830015  0.919104  0.388403  1
  S  S77  1  0.417220  0.042707  0.388930  1
  S  S78  1  0.500000  0.167351  0.388981  1
  S  S79  1  0.583160  0.291889  0.389099  1
  S  S80  1  0.666503  0.416409  0.389269  1
  S  S81  1  0.749926  0.541141  0.389586  1
  S  S82  1  0.833434  0.666639  0.390723  1
  S  S83  1  0.907107  0.796569  0.386569  1
  S  S84  1  -0.000000  0.916606  0.390670  1
  S  S85  1  0.582780  0.042707  0.388930  1
  S  S86  1  0.666127  0.167122  0.389020  1
  S  S87  1  0.749644  0.291082  0.389120  1
  S  S88  1  0.832929  0.414877  0.389038  1
  S  S89  1  0.916024  0.537686  0.388525  1
  S  S90  1  -0.000000  0.656778  0.386555  1
  S  S91  1  0.748656  0.042789  0.388903  1
  S  S92  1  0.833007  0.166389  0.389159  1
  S  S93  1  0.916506  0.290394  0.389108  1
  S  S94  1  -0.000000  0.414276  0.389084  1
  S  S95  1  0.916252  0.041730  0.389463  1
  S  S96  1  -0.000000  0.166020  0.389237  1
  S  S97  1  0.092893  0.796569  0.613431  1
  S  S98  1  0.169985  0.919104  0.611597  1
  S  S99  1  0.083976  0.537686  0.611475  1
  S  S100  1  0.166566  0.666639  0.609277  1
  S  S101  1  0.253750  0.793230  0.611568  1
  S  S102  1  0.334992  0.918035  0.611065  1
  S  S103  1  0.083494  0.290394  0.610892  1
  S  S104  1  0.167071  0.414877  0.610961  1
  S  S105  1  0.250074  0.541141  0.610414  1
  S  S106  1  0.333634  0.666867  0.610446  1
  S  S107  1  0.417672  0.792505  0.611037  1
  S  S108  1  0.500000  0.917797  0.611093  1
  S  S109  1  0.083748  0.041730  0.610537  1
  S  S110  1  0.166993  0.166389  0.610841  1
  S  S111  1  0.250356  0.291082  0.610880  1
  S  S112  1  0.333497  0.416409  0.610731  1
  S  S113  1  0.416682  0.541663  0.610640  1
  S  S114  1  0.500000  0.666836  0.610644  1
  S  S115  1  0.582328  0.792505  0.611037  1
  S  S116  1  0.665008  0.918035  0.611066  1
  S  S117  1  0.251344  0.042789  0.611097  1
  S  S118  1  0.333873  0.167122  0.610980  1
  S  S119  1  0.416840  0.291889  0.610901  1
  S  S120  1  0.500000  0.416750  0.610774  1
  S  S121  1  0.583318  0.541663  0.610640  1
  S  S122  1  0.666366  0.666867  0.610446  1
  S  S123  1  0.746250  0.793230  0.611568  1
  S  S124  1  0.830015  0.919104  0.611597  1
  S  S125  1  0.417220  0.042707  0.611070  1
  S  S126  1  0.500000  0.167351  0.611019  1
  S  S127  1  0.583160  0.291889  0.610901  1
  S  S128  1  0.666503  0.416409  0.610731  1
  S  S129  1  0.749926  0.541141  0.610414  1
  S  S130  1  0.833434  0.666639  0.609277  1
  S  S131  1  0.907107  0.796569  0.613432  1
  S  S132  1  0.000000  0.916606  0.609330  1
  S  S133  1  0.582780  0.042707  0.611070  1
  S  S134  1  0.666127  0.167122  0.610980  1
  S  S135  1  0.749644  0.291082  0.610880  1
  S  S136  1  0.832929  0.414877  0.610961  1
  S  S137  1  0.916024  0.537686  0.611475  1
  S  S138  1  -0.000000  0.656778  0.613445  1
  S  S139  1  0.748656  0.042789  0.611097  1
  S  S140  1  0.833007  0.166389  0.610841  1
  S  S141  1  0.916506  0.290394  0.610892  1
  S  S142  1  0.000000  0.414276  0.610915  1
  S  S143  1  0.916252  0.041730  0.610537  1
  S  S144  1  0.000000  0.166020  0.610763  1
