# generated using pymatgen
data_AlW47S96
_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   AlW47S96
_chemical_formula_sum   'Al1 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
  Al  Al1  1  -0.000000  0.749996  0.500000  1
  W  W2  1  0.086094  0.877245  0.500000  1
  W  W3  1  0.000000  0.499134  0.500000  1
  W  W4  1  0.084195  0.621839  0.500000  1
  W  W5  1  0.170231  0.750950  0.500000  1
  W  W6  1  0.250833  0.875446  0.500000  1
  W  W7  1  -0.000000  0.249924  0.500000  1
  W  W8  1  0.083496  0.374525  0.500000  1
  W  W9  1  0.166935  0.499288  0.500000  1
  W  W10  1  0.250176  0.624890  0.500000  1
  W  W11  1  0.334049  0.750158  0.500000  1
  W  W12  1  0.417070  0.875163  0.500000  1
  W  W13  1  -0.000000  0.000208  0.500000  1
  W  W14  1  0.083456  0.125118  0.500000  1
  W  W15  1  0.166728  0.249923  0.500000  1
  W  W16  1  0.250241  0.374690  0.500000  1
  W  W17  1  0.333408  0.499824  0.500000  1
  W  W18  1  0.416805  0.624983  0.500000  1
  W  W19  1  0.500000  0.749957  0.500000  1
  W  W20  1  0.582930  0.875163  0.500000  1
  W  W21  1  0.167238  0.000569  0.500000  1
  W  W22  1  0.250203  0.125317  0.500000  1
  W  W23  1  0.333448  0.249997  0.500000  1
  W  W24  1  0.416726  0.374953  0.500000  1
  W  W25  1  0.500000  0.499925  0.500000  1
  W  W26  1  0.583195  0.624983  0.500000  1
  W  W27  1  0.665951  0.750158  0.500000  1
  W  W28  1  0.749167  0.875446  0.500000  1
  W  W29  1  0.333715  0.000377  0.500000  1
  W  W30  1  0.416757  0.125116  0.500000  1
  W  W31  1  0.500000  0.250023  0.500000  1
  W  W32  1  0.583274  0.374953  0.500000  1
  W  W33  1  0.666592  0.499824  0.500000  1
  W  W34  1  0.749824  0.624890  0.500000  1
  W  W35  1  0.829769  0.750950  0.500000  1
  W  W36  1  0.913906  0.877245  0.500000  1
  W  W37  1  0.500000  0.000148  0.500000  1
  W  W38  1  0.583243  0.125116  0.500000  1
  W  W39  1  0.666552  0.249997  0.500000  1
  W  W40  1  0.749759  0.374690  0.500000  1
  W  W41  1  0.833066  0.499288  0.500000  1
  W  W42  1  0.915805  0.621839  0.500000  1
  W  W43  1  0.666285  0.000377  0.500000  1
  W  W44  1  0.749797  0.125317  0.500000  1
  W  W45  1  0.833272  0.249923  0.500000  1
  W  W46  1  0.916504  0.374525  0.500000  1
  W  W47  1  0.832762  0.000569  0.500000  1
  W  W48  1  0.916544  0.125118  0.500000  1
  S  S49  1  0.084700  0.792376  0.391409  1
  S  S50  1  0.168278  0.917801  0.388416  1
  S  S51  1  0.083640  0.539905  0.388444  1
  S  S52  1  0.166379  0.666805  0.390050  1
  S  S53  1  0.251841  0.792334  0.388410  1
  S  S54  1  0.334042  0.917086  0.389212  1
  S  S55  1  0.083382  0.291422  0.389151  1
  S  S56  1  0.166943  0.416083  0.389185  1
  S  S57  1  0.250178  0.541485  0.389222  1
  S  S58  1  0.333545  0.666605  0.389224  1
  S  S59  1  0.417125  0.791789  0.389132  1
  S  S60  1  0.500000  0.916871  0.389069  1
  S  S61  1  0.083411  0.041882  0.389216  1
  S  S62  1  0.166718  0.166737  0.389176  1
  S  S63  1  0.250101  0.291496  0.389184  1
  S  S64  1  0.333444  0.416558  0.389206  1
  S  S65  1  0.416716  0.541601  0.389287  1
  S  S66  1  0.500000  0.666592  0.389163  1
  S  S67  1  0.582875  0.791789  0.389132  1
  S  S68  1  0.665958  0.917086  0.389212  1
  S  S69  1  0.250446  0.042163  0.389181  1
  S  S70  1  0.333500  0.166790  0.389172  1
  S  S71  1  0.416715  0.291666  0.389217  1
  S  S72  1  0.500000  0.416628  0.389229  1
  S  S73  1  0.583284  0.541601  0.389287  1
  S  S74  1  0.666455  0.666605  0.389224  1
  S  S75  1  0.748159  0.792334  0.388410  1
  S  S76  1  0.831722  0.917801  0.388416  1
  S  S77  1  0.416856  0.041867  0.389134  1
  S  S78  1  0.500000  0.166736  0.389198  1
  S  S79  1  0.583285  0.291666  0.389217  1
  S  S80  1  0.666556  0.416558  0.389206  1
  S  S81  1  0.749822  0.541485  0.389222  1
  S  S82  1  0.833621  0.666805  0.390050  1
  S  S83  1  0.915300  0.792376  0.391409  1
  S  S84  1  -0.000000  0.916390  0.390063  1
  S  S85  1  0.583144  0.041867  0.389134  1
  S  S86  1  0.666500  0.166790  0.389172  1
  S  S87  1  0.749899  0.291496  0.389184  1
  S  S88  1  0.833057  0.416083  0.389185  1
  S  S89  1  0.916360  0.539905  0.388444  1
  S  S90  1  0.000000  0.665304  0.391422  1
  S  S91  1  0.749554  0.042163  0.389181  1
  S  S92  1  0.833282  0.166737  0.389176  1
  S  S93  1  0.916618  0.291422  0.389151  1
  S  S94  1  -0.000000  0.415880  0.389250  1
  S  S95  1  0.916589  0.041882  0.389216  1
  S  S96  1  0.000000  0.166685  0.389276  1
  S  S97  1  0.084700  0.792376  0.608591  1
  S  S98  1  0.168278  0.917801  0.611584  1
  S  S99  1  0.083640  0.539905  0.611556  1
  S  S100  1  0.166379  0.666805  0.609950  1
  S  S101  1  0.251841  0.792334  0.611590  1
  S  S102  1  0.334042  0.917086  0.610788  1
  S  S103  1  0.083382  0.291422  0.610849  1
  S  S104  1  0.166943  0.416083  0.610815  1
  S  S105  1  0.250178  0.541485  0.610778  1
  S  S106  1  0.333545  0.666605  0.610776  1
  S  S107  1  0.417125  0.791789  0.610868  1
  S  S108  1  0.500000  0.916871  0.610931  1
  S  S109  1  0.083411  0.041882  0.610784  1
  S  S110  1  0.166718  0.166737  0.610824  1
  S  S111  1  0.250101  0.291496  0.610816  1
  S  S112  1  0.333444  0.416558  0.610794  1
  S  S113  1  0.416716  0.541601  0.610713  1
  S  S114  1  0.500000  0.666592  0.610837  1
  S  S115  1  0.582875  0.791789  0.610868  1
  S  S116  1  0.665958  0.917086  0.610788  1
  S  S117  1  0.250446  0.042163  0.610819  1
  S  S118  1  0.333500  0.166790  0.610828  1
  S  S119  1  0.416715  0.291666  0.610783  1
  S  S120  1  0.500000  0.416628  0.610771  1
  S  S121  1  0.583284  0.541601  0.610713  1
  S  S122  1  0.666455  0.666605  0.610776  1
  S  S123  1  0.748159  0.792334  0.611590  1
  S  S124  1  0.831722  0.917801  0.611584  1
  S  S125  1  0.416856  0.041867  0.610866  1
  S  S126  1  0.500000  0.166736  0.610802  1
  S  S127  1  0.583285  0.291666  0.610783  1
  S  S128  1  0.666556  0.416558  0.610794  1
  S  S129  1  0.749822  0.541485  0.610778  1
  S  S130  1  0.833621  0.666805  0.609950  1
  S  S131  1  0.915300  0.792376  0.608591  1
  S  S132  1  0.000000  0.916390  0.609937  1
  S  S133  1  0.583144  0.041867  0.610866  1
  S  S134  1  0.666500  0.166790  0.610828  1
  S  S135  1  0.749899  0.291496  0.610816  1
  S  S136  1  0.833057  0.416083  0.610815  1
  S  S137  1  0.916360  0.539905  0.611556  1
  S  S138  1  -0.000000  0.665304  0.608578  1
  S  S139  1  0.749554  0.042163  0.610819  1
  S  S140  1  0.833282  0.166737  0.610824  1
  S  S141  1  0.916618  0.291422  0.610849  1
  S  S142  1  -0.000000  0.415880  0.610750  1
  S  S143  1  0.916589  0.041882  0.610784  1
  S  S144  1  -0.000000  0.166685  0.610724  1
