# 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  0.749764  0.500000  1
  W  W2  1  0.087145  0.878215  0.500000  1
  W  W3  1  -0.000000  0.496963  0.500000  1
  W  W4  1  0.084581  0.620311  0.500000  1
  W  W5  1  0.171633  0.751353  0.500000  1
  W  W6  1  0.252492  0.876545  0.499999  1
  W  W7  1  -0.000000  0.248797  0.500000  1
  W  W8  1  0.083505  0.373166  0.500001  1
  W  W9  1  0.166670  0.497835  0.500000  1
  W  W10  1  0.249827  0.625056  0.500000  1
  W  W11  1  0.334935  0.751146  0.499999  1
  W  W12  1  0.417550  0.876114  0.499999  1
  W  W13  1  0.000000  -0.000272  0.500000  1
  W  W14  1  0.083570  0.124563  0.500000  1
  W  W15  1  0.166958  0.249196  0.500001  1
  W  W16  1  0.250266  0.374133  0.500000  1
  W  W17  1  0.333353  0.499862  0.500000  1
  W  W18  1  0.416729  0.625260  0.499999  1
  W  W19  1  0.500000  0.750667  0.499999  1
  W  W20  1  0.582450  0.876114  0.499999  1
  W  W21  1  0.168607  0.000925  0.500000  1
  W  W22  1  0.250745  0.125391  0.500001  1
  W  W23  1  0.333668  0.250058  0.500001  1
  W  W24  1  0.416713  0.375121  0.500000  1
  W  W25  1  0.500000  0.500211  0.500000  1
  W  W26  1  0.583271  0.625260  0.500000  1
  W  W27  1  0.665065  0.751146  0.500000  1
  W  W28  1  0.747508  0.876545  0.500000  1
  W  W29  1  0.334479  0.001129  0.500000  1
  W  W30  1  0.417043  0.125753  0.500000  1
  W  W31  1  0.500000  0.250444  0.500000  1
  W  W32  1  0.583287  0.375121  0.500000  1
  W  W33  1  0.666647  0.499862  0.500000  1
  W  W34  1  0.750173  0.625056  0.500000  1
  W  W35  1  0.828367  0.751353  0.500000  1
  W  W36  1  0.912855  0.878215  0.500000  1
  W  W37  1  0.500000  0.001039  0.499999  1
  W  W38  1  0.582957  0.125753  0.500000  1
  W  W39  1  0.666332  0.250058  0.500000  1
  W  W40  1  0.749734  0.374133  0.500000  1
  W  W41  1  0.833330  0.497835  0.500000  1
  W  W42  1  0.915419  0.620311  0.500000  1
  W  W43  1  0.665521  0.001129  0.500000  1
  W  W44  1  0.749255  0.125391  0.500000  1
  W  W45  1  0.833042  0.249196  0.500000  1
  W  W46  1  0.916495  0.373166  0.500000  1
  W  W47  1  0.831393  0.000925  0.500000  1
  W  W48  1  0.916430  0.124563  0.500000  1
  S  S49  1  0.093502  0.796856  0.383519  1
  S  S50  1  0.169644  0.918518  0.388523  1
  S  S51  1  0.083576  0.538182  0.388660  1
  S  S52  1  0.166082  0.666906  0.390755  1
  S  S53  1  0.253101  0.793250  0.388593  1
  S  S54  1  0.334970  0.918031  0.388748  1
  S  S55  1  0.083425  0.290252  0.389136  1
  S  S56  1  0.166825  0.415020  0.389111  1
  S  S57  1  0.249771  0.541361  0.389635  1
  S  S58  1  0.333370  0.667039  0.389598  1
  S  S59  1  0.417504  0.792638  0.389016  1
  S  S60  1  0.500000  0.917876  0.388869  1
  S  S61  1  0.083693  0.041336  0.389468  1
  S  S62  1  0.166937  0.166165  0.389193  1
  S  S63  1  0.250205  0.291087  0.389165  1
  S  S64  1  0.333316  0.416551  0.389332  1
  S  S65  1  0.416586  0.541855  0.389391  1
  S  S66  1  0.500000  0.667041  0.389389  1
  S  S67  1  0.582496  0.792638  0.389016  1
  S  S68  1  0.665030  0.918031  0.388748  1
  S  S69  1  0.251221  0.042504  0.388952  1
  S  S70  1  0.333780  0.167074  0.389062  1
  S  S71  1  0.416759  0.291975  0.389179  1
  S  S72  1  0.500000  0.416908  0.389312  1
  S  S73  1  0.583414  0.541855  0.389391  1
  S  S74  1  0.666630  0.667039  0.389598  1
  S  S75  1  0.746899  0.793250  0.388593  1
  S  S76  1  0.830356  0.918518  0.388523  1
  S  S77  1  0.417185  0.042712  0.388937  1
  S  S78  1  0.500000  0.167407  0.389043  1
  S  S79  1  0.583241  0.291975  0.389179  1
  S  S80  1  0.666684  0.416551  0.389332  1
  S  S81  1  0.750229  0.541361  0.389635  1
  S  S82  1  0.833918  0.666906  0.390755  1
  S  S83  1  0.906498  0.796856  0.383519  1
  S  S84  1  -0.000000  0.916087  0.390660  1
  S  S85  1  0.582815  0.042712  0.388937  1
  S  S86  1  0.666220  0.167074  0.389062  1
  S  S87  1  0.749795  0.291087  0.389166  1
  S  S88  1  0.833175  0.415020  0.389111  1
  S  S89  1  0.916424  0.538182  0.388660  1
  S  S90  1  -0.000000  0.656185  0.383548  1
  S  S91  1  0.748779  0.042504  0.388952  1
  S  S92  1  0.833063  0.166165  0.389193  1
  S  S93  1  0.916575  0.290252  0.389136  1
  S  S94  1  -0.000000  0.414215  0.388907  1
  S  S95  1  0.916307  0.041337  0.389468  1
  S  S96  1  -0.000000  0.165724  0.389227  1
  S  S97  1  0.093502  0.796856  0.616481  1
  S  S98  1  0.169644  0.918518  0.611477  1
  S  S99  1  0.083576  0.538182  0.611340  1
  S  S100  1  0.166082  0.666906  0.609245  1
  S  S101  1  0.253101  0.793250  0.611408  1
  S  S102  1  0.334970  0.918031  0.611252  1
  S  S103  1  0.083425  0.290252  0.610864  1
  S  S104  1  0.166825  0.415020  0.610889  1
  S  S105  1  0.249771  0.541361  0.610365  1
  S  S106  1  0.333370  0.667039  0.610403  1
  S  S107  1  0.417504  0.792639  0.610984  1
  S  S108  1  0.500000  0.917876  0.611131  1
  S  S109  1  0.083693  0.041337  0.610531  1
  S  S110  1  0.166938  0.166166  0.610808  1
  S  S111  1  0.250205  0.291087  0.610834  1
  S  S112  1  0.333316  0.416551  0.610668  1
  S  S113  1  0.416586  0.541855  0.610610  1
  S  S114  1  0.500000  0.667041  0.610612  1
  S  S115  1  0.582496  0.792639  0.610984  1
  S  S116  1  0.665030  0.918031  0.611252  1
  S  S117  1  0.251221  0.042504  0.611047  1
  S  S118  1  0.333780  0.167074  0.610938  1
  S  S119  1  0.416759  0.291976  0.610822  1
  S  S120  1  0.500000  0.416908  0.610688  1
  S  S121  1  0.583414  0.541855  0.610610  1
  S  S122  1  0.666630  0.667039  0.610403  1
  S  S123  1  0.746899  0.793250  0.611407  1
  S  S124  1  0.830356  0.918518  0.611477  1
  S  S125  1  0.417185  0.042712  0.611063  1
  S  S126  1  0.500000  0.167408  0.610955  1
  S  S127  1  0.583241  0.291976  0.610822  1
  S  S128  1  0.666684  0.416551  0.610668  1
  S  S129  1  0.750229  0.541361  0.610365  1
  S  S130  1  0.833918  0.666906  0.609245  1
  S  S131  1  0.906498  0.796857  0.616481  1
  S  S132  1  -0.000000  0.916087  0.609340  1
  S  S133  1  0.582815  0.042712  0.611063  1
  S  S134  1  0.666220  0.167074  0.610938  1
  S  S135  1  0.749795  0.291087  0.610834  1
  S  S136  1  0.833175  0.415020  0.610889  1
  S  S137  1  0.916424  0.538182  0.611340  1
  S  S138  1  -0.000000  0.656185  0.616452  1
  S  S139  1  0.748779  0.042504  0.611047  1
  S  S140  1  0.833062  0.166166  0.610808  1
  S  S141  1  0.916575  0.290252  0.610864  1
  S  S142  1  -0.000000  0.414215  0.611093  1
  S  S143  1  0.916307  0.041337  0.610532  1
  S  S144  1  0.000000  0.165724  0.610773  1
