# 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  0.749869  0.500000  1
  W  W2  1  0.086835  0.878447  0.500000  1
  W  W3  1  -0.000000  0.497041  0.500000  1
  W  W4  1  0.085055  0.620578  0.500000  1
  W  W5  1  0.171744  0.750924  0.500000  1
  W  W6  1  0.252703  0.876461  0.500000  1
  W  W7  1  -0.000000  0.249048  0.500000  1
  W  W8  1  0.083023  0.373950  0.500000  1
  W  W9  1  0.166583  0.498104  0.500000  1
  W  W10  1  0.249443  0.625272  0.500000  1
  W  W11  1  0.334813  0.751023  0.499999  1
  W  W12  1  0.417108  0.875841  0.500000  1
  W  W13  1  0.000000  -0.000645  0.500000  1
  W  W14  1  0.084315  0.124752  0.500000  1
  W  W15  1  0.167201  0.248830  0.500000  1
  W  W16  1  0.251005  0.374571  0.500000  1
  W  W17  1  0.333090  0.499546  0.500000  1
  W  W18  1  0.416980  0.625434  0.500000  1
  W  W19  1  0.500000  0.750082  0.500000  1
  W  W20  1  0.582892  0.875841  0.500000  1
  W  W21  1  0.168536  0.000795  0.500000  1
  W  W22  1  0.249983  0.125685  0.500000  1
  W  W23  1  0.333643  0.250018  0.500000  1
  W  W24  1  0.415346  0.375239  0.500000  1
  W  W25  1  0.500000  0.500150  0.500000  1
  W  W26  1  0.583020  0.625434  0.500000  1
  W  W27  1  0.665187  0.751023  0.500000  1
  W  W28  1  0.747297  0.876461  0.500000  1
  W  W29  1  0.334104  0.000349  0.500000  1
  W  W30  1  0.417690  0.126319  0.500000  1
  W  W31  1  0.500000  0.249416  0.500000  1
  W  W32  1  0.584654  0.375239  0.500000  1
  W  W33  1  0.666910  0.499546  0.500000  1
  W  W34  1  0.750557  0.625272  0.500000  1
  W  W35  1  0.828256  0.750924  0.500000  1
  W  W36  1  0.913165  0.878447  0.500000  1
  W  W37  1  0.500000  0.000809  0.500000  1
  W  W38  1  0.582310  0.126319  0.500000  1
  W  W39  1  0.666357  0.250018  0.500000  1
  W  W40  1  0.748995  0.374571  0.500000  1
  W  W41  1  0.833417  0.498104  0.500000  1
  W  W42  1  0.914945  0.620578  0.500000  1
  W  W43  1  0.665896  0.000349  0.500000  1
  W  W44  1  0.750017  0.125685  0.500000  1
  W  W45  1  0.832799  0.248830  0.500001  1
  W  W46  1  0.916977  0.373950  0.500000  1
  W  W47  1  0.831464  0.000795  0.500001  1
  W  W48  1  0.915685  0.124752  0.500000  1
  S  S49  1  0.093532  0.796831  0.383700  1
  S  S50  1  0.169626  0.918417  0.388637  1
  S  S51  1  0.083569  0.538463  0.388712  1
  S  S52  1  0.166094  0.666945  0.390337  1
  S  S53  1  0.252999  0.793117  0.388641  1
  S  S54  1  0.334956  0.917685  0.388470  1
  S  S55  1  0.083582  0.290584  0.389616  1
  S  S56  1  0.166985  0.415102  0.389400  1
  S  S57  1  0.249721  0.541511  0.389716  1
  S  S58  1  0.333327  0.666932  0.389672  1
  S  S59  1  0.417558  0.792330  0.389171  1
  S  S60  1  0.500000  0.917578  0.389190  1
  S  S61  1  0.083627  0.041357  0.389650  1
  S  S62  1  0.166879  0.166354  0.388689  1
  S  S63  1  0.250251  0.291214  0.389295  1
  S  S64  1  0.333130  0.416864  0.388642  1
  S  S65  1  0.416516  0.541803  0.389698  1
  S  S66  1  0.500000  0.666833  0.389144  1
  S  S67  1  0.582442  0.792330  0.389171  1
  S  S68  1  0.665044  0.917685  0.388470  1
  S  S69  1  0.251237  0.042538  0.389253  1
  S  S70  1  0.333621  0.166974  0.389207  1
  S  S71  1  0.416908  0.291843  0.389449  1
  S  S72  1  0.500000  0.416403  0.390149  1
  S  S73  1  0.583484  0.541803  0.389698  1
  S  S74  1  0.666673  0.666932  0.389672  1
  S  S75  1  0.747001  0.793117  0.388641  1
  S  S76  1  0.830374  0.918417  0.388636  1
  S  S77  1  0.416950  0.042701  0.389553  1
  S  S78  1  0.500000  0.167242  0.388160  1
  S  S79  1  0.583092  0.291843  0.389449  1
  S  S80  1  0.666870  0.416864  0.388641  1
  S  S81  1  0.750279  0.541511  0.389716  1
  S  S82  1  0.833906  0.666945  0.390337  1
  S  S83  1  0.906468  0.796831  0.383700  1
  S  S84  1  0.000000  0.916059  0.390335  1
  S  S85  1  0.583050  0.042701  0.389552  1
  S  S86  1  0.666379  0.166974  0.389207  1
  S  S87  1  0.749749  0.291214  0.389295  1
  S  S88  1  0.833015  0.415102  0.389400  1
  S  S89  1  0.916431  0.538463  0.388712  1
  S  S90  1  0.000000  0.656328  0.383769  1
  S  S91  1  0.748763  0.042538  0.389253  1
  S  S92  1  0.833121  0.166354  0.388689  1
  S  S93  1  0.916418  0.290584  0.389616  1
  S  S94  1  0.000000  0.414679  0.388506  1
  S  S95  1  0.916373  0.041357  0.389650  1
  S  S96  1  0.000000  0.165742  0.389726  1
  S  S97  1  0.093532  0.796831  0.616300  1
  S  S98  1  0.169626  0.918417  0.611363  1
  S  S99  1  0.083569  0.538463  0.611288  1
  S  S100  1  0.166094  0.666945  0.609663  1
  S  S101  1  0.252999  0.793117  0.611359  1
  S  S102  1  0.334956  0.917685  0.611530  1
  S  S103  1  0.083582  0.290584  0.610383  1
  S  S104  1  0.166985  0.415102  0.610600  1
  S  S105  1  0.249721  0.541511  0.610284  1
  S  S106  1  0.333327  0.666932  0.610329  1
  S  S107  1  0.417558  0.792330  0.610829  1
  S  S108  1  0.500000  0.917578  0.610811  1
  S  S109  1  0.083627  0.041357  0.610350  1
  S  S110  1  0.166879  0.166354  0.611311  1
  S  S111  1  0.250251  0.291214  0.610705  1
  S  S112  1  0.333130  0.416864  0.611359  1
  S  S113  1  0.416516  0.541803  0.610302  1
  S  S114  1  0.500000  0.666833  0.610856  1
  S  S115  1  0.582442  0.792330  0.610829  1
  S  S116  1  0.665044  0.917685  0.611530  1
  S  S117  1  0.251237  0.042538  0.610747  1
  S  S118  1  0.333621  0.166974  0.610793  1
  S  S119  1  0.416908  0.291843  0.610551  1
  S  S120  1  0.500000  0.416403  0.609851  1
  S  S121  1  0.583484  0.541803  0.610302  1
  S  S122  1  0.666673  0.666932  0.610328  1
  S  S123  1  0.747001  0.793117  0.611359  1
  S  S124  1  0.830374  0.918417  0.611363  1
  S  S125  1  0.416950  0.042701  0.610448  1
  S  S126  1  0.500000  0.167242  0.611840  1
  S  S127  1  0.583092  0.291843  0.610551  1
  S  S128  1  0.666870  0.416864  0.611358  1
  S  S129  1  0.750279  0.541511  0.610284  1
  S  S130  1  0.833906  0.666945  0.609663  1
  S  S131  1  0.906468  0.796831  0.616300  1
  S  S132  1  -0.000000  0.916059  0.609665  1
  S  S133  1  0.583050  0.042701  0.610447  1
  S  S134  1  0.666379  0.166974  0.610793  1
  S  S135  1  0.749749  0.291214  0.610705  1
  S  S136  1  0.833015  0.415102  0.610600  1
  S  S137  1  0.916431  0.538463  0.611288  1
  S  S138  1  -0.000000  0.656328  0.616231  1
  S  S139  1  0.748763  0.042538  0.610747  1
  S  S140  1  0.833121  0.166354  0.611311  1
  S  S141  1  0.916418  0.290584  0.610383  1
  S  S142  1  -0.000000  0.414679  0.611493  1
  S  S143  1  0.916373  0.041357  0.610350  1
  S  S144  1  -0.000000  0.165742  0.610274  1
