# 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  0.749851  0.500000  1
  W  W2  1  0.087020  0.878263  0.500000  1
  W  W3  1  -0.000000  0.497173  0.500000  1
  W  W4  1  0.084745  0.620459  0.500000  1
  W  W5  1  0.171657  0.751201  0.500000  1
  W  W6  1  0.252471  0.876429  0.500000  1
  W  W7  1  -0.000000  0.248929  0.500000  1
  W  W8  1  0.083501  0.373462  0.500000  1
  W  W9  1  0.166502  0.498012  0.500000  1
  W  W10  1  0.249655  0.625181  0.500000  1
  W  W11  1  0.334811  0.751092  0.500000  1
  W  W12  1  0.417489  0.875881  0.500000  1
  W  W13  1  0.000000  -0.000473  0.500000  1
  W  W14  1  0.083629  0.124608  0.500000  1
  W  W15  1  0.166941  0.249174  0.500000  1
  W  W16  1  0.250336  0.374355  0.500000  1
  W  W17  1  0.333343  0.499895  0.500000  1
  W  W18  1  0.416731  0.625258  0.500000  1
  W  W19  1  0.500000  0.750465  0.500000  1
  W  W20  1  0.582511  0.875881  0.500000  1
  W  W21  1  0.168622  0.000752  0.500000  1
  W  W22  1  0.250520  0.125342  0.500000  1
  W  W23  1  0.333657  0.250122  0.500000  1
  W  W24  1  0.416457  0.375178  0.500000  1
  W  W25  1  0.500000  0.500308  0.500000  1
  W  W26  1  0.583269  0.625258  0.500000  1
  W  W27  1  0.665189  0.751092  0.500000  1
  W  W28  1  0.747529  0.876430  0.500000  1
  W  W29  1  0.334285  0.000921  0.500000  1
  W  W30  1  0.417204  0.125726  0.500000  1
  W  W31  1  0.500000  0.250241  0.500000  1
  W  W32  1  0.583543  0.375178  0.500000  1
  W  W33  1  0.666657  0.499894  0.500000  1
  W  W34  1  0.750345  0.625181  0.500000  1
  W  W35  1  0.828344  0.751201  0.500000  1
  W  W36  1  0.912980  0.878263  0.500000  1
  W  W37  1  0.500000  0.000789  0.500000  1
  W  W38  1  0.582796  0.125726  0.500000  1
  W  W39  1  0.666343  0.250122  0.500000  1
  W  W40  1  0.749664  0.374355  0.500000  1
  W  W41  1  0.833498  0.498012  0.500000  1
  W  W42  1  0.915254  0.620458  0.500000  1
  W  W43  1  0.665715  0.000921  0.500000  1
  W  W44  1  0.749480  0.125342  0.500000  1
  W  W45  1  0.833059  0.249173  0.500000  1
  W  W46  1  0.916499  0.373462  0.500000  1
  W  W47  1  0.831377  0.000752  0.500000  1
  W  W48  1  0.916371  0.124608  0.500000  1
  S  S49  1  0.093474  0.796818  0.383598  1
  S  S50  1  0.169624  0.918408  0.388578  1
  S  S51  1  0.083529  0.538375  0.388657  1
  S  S52  1  0.166072  0.666945  0.390625  1
  S  S53  1  0.253035  0.793183  0.388609  1
  S  S54  1  0.334952  0.917874  0.388855  1
  S  S55  1  0.083417  0.290409  0.389334  1
  S  S56  1  0.166864  0.415167  0.389220  1
  S  S57  1  0.249721  0.541459  0.389786  1
  S  S58  1  0.333313  0.667002  0.389682  1
  S  S59  1  0.417496  0.792443  0.389121  1
  S  S60  1  0.500000  0.917661  0.389000  1
  S  S61  1  0.083674  0.041290  0.389645  1
  S  S62  1  0.166889  0.166193  0.389272  1
  S  S63  1  0.250189  0.291208  0.389365  1
  S  S64  1  0.333277  0.416664  0.389372  1
  S  S65  1  0.416584  0.541861  0.389492  1
  S  S66  1  0.500000  0.666937  0.389462  1
  S  S67  1  0.582504  0.792443  0.389121  1
  S  S68  1  0.665048  0.917874  0.388855  1
  S  S69  1  0.251156  0.042467  0.389054  1
  S  S70  1  0.333711  0.167008  0.389314  1
  S  S71  1  0.416821  0.291960  0.389357  1
  S  S72  1  0.500000  0.416913  0.389594  1
  S  S73  1  0.583416  0.541861  0.389492  1
  S  S74  1  0.666687  0.667002  0.389682  1
  S  S75  1  0.746965  0.793183  0.388609  1
  S  S76  1  0.830376  0.918408  0.388578  1
  S  S77  1  0.417154  0.042556  0.389190  1
  S  S78  1  0.500000  0.167332  0.389065  1
  S  S79  1  0.583179  0.291959  0.389357  1
  S  S80  1  0.666723  0.416664  0.389372  1
  S  S81  1  0.750279  0.541459  0.389786  1
  S  S82  1  0.833928  0.666945  0.390625  1
  S  S83  1  0.906526  0.796818  0.383598  1
  S  S84  1  -0.000000  0.916051  0.390569  1
  S  S85  1  0.582846  0.042556  0.389190  1
  S  S86  1  0.666289  0.167008  0.389314  1
  S  S87  1  0.749811  0.291208  0.389366  1
  S  S88  1  0.833136  0.415167  0.389220  1
  S  S89  1  0.916471  0.538375  0.388657  1
  S  S90  1  0.000000  0.656336  0.383671  1
  S  S91  1  0.748844  0.042467  0.389054  1
  S  S92  1  0.833111  0.166193  0.389272  1
  S  S93  1  0.916583  0.290409  0.389334  1
  S  S94  1  0.000000  0.414440  0.389029  1
  S  S95  1  0.916326  0.041290  0.389645  1
  S  S96  1  -0.000000  0.165811  0.389411  1
  S  S97  1  0.093474  0.796818  0.616402  1
  S  S98  1  0.169624  0.918408  0.611422  1
  S  S99  1  0.083529  0.538375  0.611343  1
  S  S100  1  0.166072  0.666945  0.609375  1
  S  S101  1  0.253035  0.793183  0.611391  1
  S  S102  1  0.334952  0.917874  0.611145  1
  S  S103  1  0.083417  0.290409  0.610666  1
  S  S104  1  0.166864  0.415167  0.610780  1
  S  S105  1  0.249721  0.541459  0.610214  1
  S  S106  1  0.333313  0.667002  0.610318  1
  S  S107  1  0.417496  0.792443  0.610879  1
  S  S108  1  0.500000  0.917661  0.611000  1
  S  S109  1  0.083674  0.041290  0.610355  1
  S  S110  1  0.166889  0.166193  0.610728  1
  S  S111  1  0.250189  0.291208  0.610635  1
  S  S112  1  0.333277  0.416664  0.610628  1
  S  S113  1  0.416584  0.541861  0.610508  1
  S  S114  1  0.500000  0.666937  0.610538  1
  S  S115  1  0.582504  0.792443  0.610879  1
  S  S116  1  0.665048  0.917874  0.611145  1
  S  S117  1  0.251156  0.042467  0.610946  1
  S  S118  1  0.333711  0.167008  0.610686  1
  S  S119  1  0.416821  0.291960  0.610643  1
  S  S120  1  0.500000  0.416913  0.610406  1
  S  S121  1  0.583416  0.541861  0.610508  1
  S  S122  1  0.666687  0.667002  0.610318  1
  S  S123  1  0.746965  0.793183  0.611391  1
  S  S124  1  0.830376  0.918408  0.611423  1
  S  S125  1  0.417154  0.042556  0.610810  1
  S  S126  1  0.500000  0.167332  0.610935  1
  S  S127  1  0.583179  0.291959  0.610643  1
  S  S128  1  0.666723  0.416664  0.610629  1
  S  S129  1  0.750279  0.541459  0.610214  1
  S  S130  1  0.833928  0.666945  0.609375  1
  S  S131  1  0.906526  0.796818  0.616402  1
  S  S132  1  -0.000000  0.916051  0.609431  1
  S  S133  1  0.582846  0.042556  0.610810  1
  S  S134  1  0.666289  0.167008  0.610686  1
  S  S135  1  0.749811  0.291208  0.610635  1
  S  S136  1  0.833136  0.415167  0.610780  1
  S  S137  1  0.916471  0.538375  0.611343  1
  S  S138  1  0.000000  0.656336  0.616329  1
  S  S139  1  0.748844  0.042467  0.610946  1
  S  S140  1  0.833111  0.166193  0.610728  1
  S  S141  1  0.916583  0.290409  0.610666  1
  S  S142  1  0.000000  0.414440  0.610971  1
  S  S143  1  0.916326  0.041290  0.610355  1
  S  S144  1  0.000000  0.165811  0.610589  1
