# 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  0.749846  0.500000  1
  W  W2  1  0.086788  0.878535  0.500000  1
  W  W3  1  0.000000  0.496865  0.500000  1
  W  W4  1  0.085174  0.620505  0.500000  1
  W  W5  1  0.171810  0.750811  0.500000  1
  W  W6  1  0.252826  0.876509  0.500000  1
  W  W7  1  0.000000  0.249048  0.500000  1
  W  W8  1  0.082512  0.374140  0.500000  1
  W  W9  1  0.166677  0.498047  0.500000  1
  W  W10  1  0.249308  0.625255  0.500000  1
  W  W11  1  0.334852  0.750975  0.500000  1
  W  W12  1  0.416796  0.875960  0.500000  1
  W  W13  1  -0.000000  -0.000726  0.500000  1
  W  W14  1  0.084708  0.124934  0.500000  1
  W  W15  1  0.167198  0.248582  0.500000  1
  W  W16  1  0.251491  0.374664  0.500000  1
  W  W17  1  0.333045  0.499235  0.500000  1
  W  W18  1  0.417209  0.625498  0.500000  1
  W  W19  1  0.500000  0.749746  0.500000  1
  W  W20  1  0.583204  0.875960  0.500000  1
  W  W21  1  0.168515  0.000894  0.500000  1
  W  W22  1  0.249593  0.126027  0.500000  1
  W  W23  1  0.333700  0.250048  0.500000  1
  W  W24  1  0.414790  0.375506  0.500000  1
  W  W25  1  0.500000  0.500164  0.500000  1
  W  W26  1  0.582791  0.625498  0.500000  1
  W  W27  1  0.665148  0.750975  0.500000  1
  W  W28  1  0.747174  0.876509  0.500000  1
  W  W29  1  0.334130  -0.000018  0.500000  1
  W  W30  1  0.418229  0.126598  0.500000  1
  W  W31  1  0.500000  0.248949  0.500000  1
  W  W32  1  0.585210  0.375506  0.500000  1
  W  W33  1  0.666955  0.499235  0.500000  1
  W  W34  1  0.750692  0.625255  0.500000  1
  W  W35  1  0.828190  0.750811  0.500000  1
  W  W36  1  0.913212  0.878535  0.500000  1
  W  W37  1  0.500000  0.000897  0.500000  1
  W  W38  1  0.581771  0.126598  0.500000  1
  W  W39  1  0.666300  0.250048  0.500000  1
  W  W40  1  0.748509  0.374664  0.500000  1
  W  W41  1  0.833323  0.498047  0.500000  1
  W  W42  1  0.914826  0.620505  0.500000  1
  W  W43  1  0.665870  -0.000018  0.500000  1
  W  W44  1  0.750407  0.126027  0.500000  1
  W  W45  1  0.832802  0.248582  0.500000  1
  W  W46  1  0.917488  0.374140  0.500000  1
  W  W47  1  0.831485  0.000894  0.500000  1
  W  W48  1  0.915292  0.124934  0.500000  1
  S  S49  1  0.093580  0.796852  0.383706  1
  S  S50  1  0.169628  0.918497  0.388659  1
  S  S51  1  0.083631  0.538369  0.388725  1
  S  S52  1  0.166093  0.666893  0.390200  1
  S  S53  1  0.253031  0.793077  0.388659  1
  S  S54  1  0.334833  0.917592  0.388135  1
  S  S55  1  0.083591  0.290643  0.389653  1
  S  S56  1  0.166983  0.414927  0.389545  1
  S  S57  1  0.249773  0.541463  0.389748  1
  S  S58  1  0.333325  0.666834  0.389730  1
  S  S59  1  0.417626  0.792349  0.389244  1
  S  S60  1  0.500000  0.917587  0.389283  1
  S  S61  1  0.083589  0.041423  0.389713  1
  S  S62  1  0.166868  0.166464  0.388150  1
  S  S63  1  0.250226  0.291194  0.389266  1
  S  S64  1  0.333048  0.416924  0.388007  1
  S  S65  1  0.416480  0.541767  0.389699  1
  S  S66  1  0.500000  0.666736  0.388786  1
  S  S67  1  0.582374  0.792349  0.389244  1
  S  S68  1  0.665167  0.917592  0.388136  1
  S  S69  1  0.251360  0.042652  0.389419  1
  S  S70  1  0.333711  0.166964  0.389219  1
  S  S71  1  0.417007  0.291930  0.389504  1
  S  S72  1  0.500000  0.416293  0.390237  1
  S  S73  1  0.583520  0.541767  0.389699  1
  S  S74  1  0.666675  0.666834  0.389730  1
  S  S75  1  0.746969  0.793077  0.388659  1
  S  S76  1  0.830372  0.918497  0.388659  1
  S  S77  1  0.416866  0.042766  0.389615  1
  S  S78  1  0.500000  0.167306  0.387336  1
  S  S79  1  0.582993  0.291930  0.389504  1
  S  S80  1  0.666952  0.416924  0.388007  1
  S  S81  1  0.750227  0.541463  0.389749  1
  S  S82  1  0.833907  0.666893  0.390200  1
  S  S83  1  0.906420  0.796852  0.383706  1
  S  S84  1  -0.000000  0.916100  0.390202  1
  S  S85  1  0.583134  0.042766  0.389615  1
  S  S86  1  0.666289  0.166964  0.389219  1
  S  S87  1  0.749774  0.291194  0.389266  1
  S  S88  1  0.833017  0.414927  0.389545  1
  S  S89  1  0.916369  0.538369  0.388725  1
  S  S90  1  0.000000  0.656210  0.383792  1
  S  S91  1  0.748640  0.042652  0.389420  1
  S  S92  1  0.833132  0.166464  0.388150  1
  S  S93  1  0.916409  0.290643  0.389653  1
  S  S94  1  -0.000000  0.414852  0.387998  1
  S  S95  1  0.916411  0.041423  0.389713  1
  S  S96  1  -0.000000  0.165677  0.389786  1
  S  S97  1  0.093580  0.796852  0.616294  1
  S  S98  1  0.169628  0.918497  0.611341  1
  S  S99  1  0.083631  0.538369  0.611276  1
  S  S100  1  0.166093  0.666893  0.609800  1
  S  S101  1  0.253031  0.793077  0.611341  1
  S  S102  1  0.334833  0.917592  0.611864  1
  S  S103  1  0.083591  0.290643  0.610347  1
  S  S104  1  0.166983  0.414927  0.610455  1
  S  S105  1  0.249773  0.541463  0.610252  1
  S  S106  1  0.333325  0.666834  0.610269  1
  S  S107  1  0.417626  0.792349  0.610756  1
  S  S108  1  0.500000  0.917587  0.610717  1
  S  S109  1  0.083589  0.041423  0.610287  1
  S  S110  1  0.166868  0.166464  0.611850  1
  S  S111  1  0.250226  0.291194  0.610734  1
  S  S112  1  0.333048  0.416924  0.611993  1
  S  S113  1  0.416480  0.541767  0.610301  1
  S  S114  1  0.500000  0.666736  0.611214  1
  S  S115  1  0.582374  0.792349  0.610756  1
  S  S116  1  0.665167  0.917592  0.611865  1
  S  S117  1  0.251360  0.042652  0.610581  1
  S  S118  1  0.333711  0.166964  0.610781  1
  S  S119  1  0.417007  0.291930  0.610496  1
  S  S120  1  0.500000  0.416293  0.609764  1
  S  S121  1  0.583520  0.541767  0.610301  1
  S  S122  1  0.666675  0.666834  0.610270  1
  S  S123  1  0.746969  0.793077  0.611341  1
  S  S124  1  0.830372  0.918497  0.611341  1
  S  S125  1  0.416866  0.042766  0.610385  1
  S  S126  1  0.500000  0.167306  0.612664  1
  S  S127  1  0.582993  0.291930  0.610496  1
  S  S128  1  0.666952  0.416924  0.611993  1
  S  S129  1  0.750227  0.541463  0.610252  1
  S  S130  1  0.833907  0.666893  0.609800  1
  S  S131  1  0.906420  0.796852  0.616294  1
  S  S132  1  0.000000  0.916100  0.609798  1
  S  S133  1  0.583134  0.042766  0.610385  1
  S  S134  1  0.666289  0.166964  0.610781  1
  S  S135  1  0.749774  0.291194  0.610735  1
  S  S136  1  0.833017  0.414927  0.610456  1
  S  S137  1  0.916369  0.538369  0.611276  1
  S  S138  1  0.000000  0.656210  0.616209  1
  S  S139  1  0.748640  0.042652  0.610581  1
  S  S140  1  0.833132  0.166464  0.611850  1
  S  S141  1  0.916409  0.290643  0.610347  1
  S  S142  1  0.000000  0.414852  0.612002  1
  S  S143  1  0.916411  0.041423  0.610287  1
  S  S144  1  0.000000  0.165677  0.610214  1
