# generated using pymatgen
data_GaW47S96
_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   GaW47S96
_chemical_formula_sum   'Ga1 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
  Ga  Ga1  1  -0.000000  0.749979  0.500000  1
  W  W2  1  0.086906  0.877904  0.500000  1
  W  W3  1  0.000000  0.498645  0.500000  1
  W  W4  1  0.084419  0.620869  0.500000  1
  W  W5  1  0.171228  0.751261  0.500000  1
  W  W6  1  0.251217  0.875712  0.500000  1
  W  W7  1  0.000000  0.249784  0.500000  1
  W  W8  1  0.083566  0.374227  0.500000  1
  W  W9  1  0.167030  0.498937  0.500000  1
  W  W10  1  0.250288  0.624801  0.500000  1
  W  W11  1  0.334296  0.750256  0.500000  1
  W  W12  1  0.417198  0.875301  0.500000  1
  W  W13  1  -0.000000  0.000339  0.500000  1
  W  W14  1  0.083519  0.125125  0.500000  1
  W  W15  1  0.166837  0.249826  0.500000  1
  W  W16  1  0.250374  0.374541  0.500000  1
  W  W17  1  0.333461  0.499723  0.500000  1
  W  W18  1  0.416827  0.624939  0.500000  1
  W  W19  1  0.500000  0.749933  0.500000  1
  W  W20  1  0.582802  0.875301  0.500000  1
  W  W21  1  0.167521  0.000806  0.500000  1
  W  W22  1  0.250343  0.125449  0.500000  1
  W  W23  1  0.333571  0.250024  0.500000  1
  W  W24  1  0.416776  0.374923  0.500000  1
  W  W25  1  0.500000  0.499851  0.500000  1
  W  W26  1  0.583173  0.624939  0.500000  1
  W  W27  1  0.665704  0.750256  0.500000  1
  W  W28  1  0.748783  0.875712  0.500000  1
  W  W29  1  0.333915  0.000613  0.500000  1
  W  W30  1  0.416850  0.125286  0.500000  1
  W  W31  1  0.500000  0.250103  0.500000  1
  W  W32  1  0.583224  0.374923  0.500000  1
  W  W33  1  0.666539  0.499723  0.500000  1
  W  W34  1  0.749712  0.624801  0.500000  1
  W  W35  1  0.828772  0.751261  0.500000  1
  W  W36  1  0.913094  0.877904  0.500000  1
  W  W37  1  0.500000  0.000357  0.500000  1
  W  W38  1  0.583150  0.125286  0.500000  1
  W  W39  1  0.666429  0.250024  0.500000  1
  W  W40  1  0.749626  0.374541  0.500000  1
  W  W41  1  0.832970  0.498937  0.500000  1
  W  W42  1  0.915581  0.620869  0.500000  1
  W  W43  1  0.666085  0.000613  0.500000  1
  W  W44  1  0.749657  0.125449  0.500000  1
  W  W45  1  0.833163  0.249826  0.500000  1
  W  W46  1  0.916434  0.374227  0.500000  1
  W  W47  1  0.832479  0.000806  0.500000  1
  W  W48  1  0.916481  0.125125  0.500000  1
  S  S49  1  0.086991  0.793558  0.390577  1
  S  S50  1  0.168874  0.918279  0.388226  1
  S  S51  1  0.083772  0.539184  0.388268  1
  S  S52  1  0.166346  0.666806  0.390351  1
  S  S53  1  0.252500  0.792615  0.388218  1
  S  S54  1  0.334290  0.917324  0.389200  1
  S  S55  1  0.083436  0.291190  0.389087  1
  S  S56  1  0.167057  0.415803  0.389166  1
  S  S57  1  0.250241  0.541391  0.389247  1
  S  S58  1  0.333589  0.666581  0.389242  1
  S  S59  1  0.417253  0.791860  0.389104  1
  S  S60  1  0.500000  0.917066  0.389000  1
  S  S61  1  0.083462  0.041938  0.389219  1
  S  S62  1  0.166809  0.166721  0.389112  1
  S  S63  1  0.250220  0.291391  0.389126  1
  S  S64  1  0.333520  0.416462  0.389150  1
  S  S65  1  0.416737  0.541525  0.389258  1
  S  S66  1  0.500000  0.666550  0.389111  1
  S  S67  1  0.582747  0.791860  0.389104  1
  S  S68  1  0.665710  0.917324  0.389200  1
  S  S69  1  0.250650  0.042379  0.389131  1
  S  S70  1  0.333625  0.166900  0.389097  1
  S  S71  1  0.416786  0.291706  0.389144  1
  S  S72  1  0.500000  0.416596  0.389153  1
  S  S73  1  0.583263  0.541525  0.389258  1
  S  S74  1  0.666411  0.666581  0.389242  1
  S  S75  1  0.747500  0.792615  0.388218  1
  S  S76  1  0.831126  0.918279  0.388226  1
  S  S77  1  0.416974  0.042113  0.389040  1
  S  S78  1  0.500000  0.166905  0.389103  1
  S  S79  1  0.583214  0.291706  0.389144  1
  S  S80  1  0.666480  0.416462  0.389150  1
  S  S81  1  0.749759  0.541391  0.389247  1
  S  S82  1  0.833654  0.666806  0.390351  1
  S  S83  1  0.913009  0.793558  0.390577  1
  S  S84  1  -0.000000  0.916387  0.390347  1
  S  S85  1  0.583026  0.042113  0.389040  1
  S  S86  1  0.666375  0.166900  0.389097  1
  S  S87  1  0.749780  0.291391  0.389126  1
  S  S88  1  0.832943  0.415803  0.389166  1
  S  S89  1  0.916228  0.539184  0.388268  1
  S  S90  1  0.000000  0.662955  0.390598  1
  S  S91  1  0.749350  0.042379  0.389131  1
  S  S92  1  0.833191  0.166721  0.389112  1
  S  S93  1  0.916564  0.291190  0.389087  1
  S  S94  1  -0.000000  0.415480  0.389267  1
  S  S95  1  0.916538  0.041938  0.389219  1
  S  S96  1  0.000000  0.166605  0.389238  1
  S  S97  1  0.086991  0.793558  0.609423  1
  S  S98  1  0.168874  0.918279  0.611774  1
  S  S99  1  0.083772  0.539184  0.611732  1
  S  S100  1  0.166346  0.666806  0.609649  1
  S  S101  1  0.252500  0.792615  0.611782  1
  S  S102  1  0.334290  0.917324  0.610800  1
  S  S103  1  0.083436  0.291190  0.610913  1
  S  S104  1  0.167057  0.415803  0.610834  1
  S  S105  1  0.250241  0.541391  0.610753  1
  S  S106  1  0.333589  0.666581  0.610758  1
  S  S107  1  0.417253  0.791860  0.610896  1
  S  S108  1  0.500000  0.917066  0.611000  1
  S  S109  1  0.083462  0.041938  0.610781  1
  S  S110  1  0.166809  0.166721  0.610888  1
  S  S111  1  0.250220  0.291391  0.610874  1
  S  S112  1  0.333520  0.416462  0.610850  1
  S  S113  1  0.416737  0.541525  0.610742  1
  S  S114  1  0.500000  0.666550  0.610889  1
  S  S115  1  0.582747  0.791860  0.610896  1
  S  S116  1  0.665710  0.917324  0.610800  1
  S  S117  1  0.250650  0.042379  0.610869  1
  S  S118  1  0.333625  0.166900  0.610903  1
  S  S119  1  0.416786  0.291706  0.610856  1
  S  S120  1  0.500000  0.416596  0.610848  1
  S  S121  1  0.583263  0.541525  0.610742  1
  S  S122  1  0.666411  0.666581  0.610758  1
  S  S123  1  0.747500  0.792615  0.611782  1
  S  S124  1  0.831126  0.918279  0.611774  1
  S  S125  1  0.416974  0.042113  0.610960  1
  S  S126  1  0.500000  0.166905  0.610897  1
  S  S127  1  0.583214  0.291706  0.610856  1
  S  S128  1  0.666480  0.416462  0.610850  1
  S  S129  1  0.749759  0.541391  0.610753  1
  S  S130  1  0.833654  0.666806  0.609649  1
  S  S131  1  0.913009  0.793558  0.609423  1
  S  S132  1  0.000000  0.916387  0.609653  1
  S  S133  1  0.583026  0.042113  0.610960  1
  S  S134  1  0.666375  0.166900  0.610903  1
  S  S135  1  0.749780  0.291391  0.610874  1
  S  S136  1  0.832943  0.415803  0.610834  1
  S  S137  1  0.916228  0.539184  0.611732  1
  S  S138  1  -0.000000  0.662955  0.609402  1
  S  S139  1  0.749350  0.042379  0.610869  1
  S  S140  1  0.833191  0.166721  0.610888  1
  S  S141  1  0.916564  0.291190  0.610913  1
  S  S142  1  0.000000  0.415480  0.610733  1
  S  S143  1  0.916538  0.041938  0.610781  1
  S  S144  1  0.000000  0.166605  0.610762  1
