# 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  0.750194  0.500000  1
  W  W2  1  0.085245  0.877279  0.500000  1
  W  W3  1  -0.000000  0.498681  0.500000  1
  W  W4  1  0.084443  0.622327  0.500000  1
  W  W5  1  0.169791  0.750478  0.500000  1
  W  W6  1  0.251082  0.875667  0.500000  1
  W  W7  1  -0.000000  0.249478  0.500000  1
  W  W8  1  0.083439  0.374124  0.500000  1
  W  W9  1  0.166582  0.498986  0.500000  1
  W  W10  1  0.249932  0.625049  0.500000  1
  W  W11  1  0.334067  0.750646  0.500000  1
  W  W12  1  0.417126  0.875488  0.500000  1
  W  W13  1  -0.000000  -0.000079  0.500000  1
  W  W14  1  0.083486  0.124846  0.500000  1
  W  W15  1  0.166786  0.249633  0.500000  1
  W  W16  1  0.250138  0.374538  0.500000  1
  W  W17  1  0.333326  0.499916  0.500000  1
  W  W18  1  0.416729  0.625208  0.500000  1
  W  W19  1  0.500000  0.750361  0.500000  1
  W  W20  1  0.582874  0.875488  0.500000  1
  W  W21  1  0.167695  0.000365  0.500000  1
  W  W22  1  0.250373  0.125190  0.500000  1
  W  W23  1  0.333479  0.249963  0.500000  1
  W  W24  1  0.416697  0.375003  0.500000  1
  W  W25  1  0.500000  0.500103  0.500000  1
  W  W26  1  0.583271  0.625208  0.500000  1
  W  W27  1  0.665933  0.750646  0.500000  1
  W  W28  1  0.748918  0.875667  0.500000  1
  W  W29  1  0.333913  0.000527  0.500000  1
  W  W30  1  0.416843  0.125250  0.500000  1
  W  W31  1  0.500000  0.250105  0.500000  1
  W  W32  1  0.583303  0.375003  0.500000  1
  W  W33  1  0.666674  0.499916  0.500000  1
  W  W34  1  0.750068  0.625049  0.500000  1
  W  W35  1  0.830208  0.750478  0.500000  1
  W  W36  1  0.914755  0.877279  0.500000  1
  W  W37  1  0.500000  0.000416  0.500000  1
  W  W38  1  0.583157  0.125250  0.500000  1
  W  W39  1  0.666521  0.249963  0.500000  1
  W  W40  1  0.749862  0.374538  0.500000  1
  W  W41  1  0.833418  0.498986  0.500000  1
  W  W42  1  0.915557  0.622327  0.500000  1
  W  W43  1  0.666087  0.000527  0.500000  1
  W  W44  1  0.749627  0.125190  0.500000  1
  W  W45  1  0.833214  0.249633  0.500000  1
  W  W46  1  0.916561  0.374124  0.500000  1
  W  W47  1  0.832305  0.000365  0.500000  1
  W  W48  1  0.916514  0.124846  0.500000  1
  S  S49  1  0.084617  0.792391  0.391933  1
  S  S50  1  0.168125  0.917586  0.388670  1
  S  S51  1  0.083484  0.539985  0.388724  1
  S  S52  1  0.166430  0.666806  0.389816  1
  S  S53  1  0.251542  0.792420  0.388671  1
  S  S54  1  0.334135  0.917270  0.389166  1
  S  S55  1  0.083374  0.291033  0.389188  1
  S  S56  1  0.166784  0.415887  0.389222  1
  S  S57  1  0.249914  0.541522  0.389447  1
  S  S58  1  0.333395  0.666884  0.389420  1
  S  S59  1  0.417082  0.792106  0.389112  1
  S  S60  1  0.500000  0.917155  0.389052  1
  S  S61  1  0.083555  0.041577  0.389397  1
  S  S62  1  0.166782  0.166466  0.389231  1
  S  S63  1  0.250081  0.291353  0.389211  1
  S  S64  1  0.333334  0.416595  0.389318  1
  S  S65  1  0.416629  0.541797  0.389382  1
  S  S66  1  0.500000  0.666886  0.389308  1
  S  S67  1  0.582918  0.792106  0.389112  1
  S  S68  1  0.665865  0.917270  0.389166  1
  S  S69  1  0.250604  0.042072  0.389134  1
  S  S70  1  0.333556  0.166797  0.389168  1
  S  S71  1  0.416707  0.291734  0.389257  1
  S  S72  1  0.500000  0.416763  0.389319  1
  S  S73  1  0.583371  0.541797  0.389382  1
  S  S74  1  0.666605  0.666884  0.389420  1
  S  S75  1  0.748457  0.792420  0.388671  1
  S  S76  1  0.831875  0.917586  0.388670  1
  S  S77  1  0.416938  0.042058  0.389091  1
  S  S78  1  0.500000  0.166875  0.389174  1
  S  S79  1  0.583293  0.291734  0.389258  1
  S  S80  1  0.666666  0.416595  0.389318  1
  S  S81  1  0.750086  0.541522  0.389447  1
  S  S82  1  0.833570  0.666806  0.389816  1
  S  S83  1  0.915383  0.792391  0.391933  1
  S  S84  1  -0.000000  0.916534  0.389742  1
  S  S85  1  0.583062  0.042058  0.389091  1
  S  S86  1  0.666444  0.166797  0.389168  1
  S  S87  1  0.749919  0.291353  0.389211  1
  S  S88  1  0.833216  0.415887  0.389222  1
  S  S89  1  0.916516  0.539985  0.388724  1
  S  S90  1  0.000000  0.665206  0.392033  1
  S  S91  1  0.749396  0.042072  0.389134  1
  S  S92  1  0.833218  0.166466  0.389231  1
  S  S93  1  0.916626  0.291033  0.389188  1
  S  S94  1  0.000000  0.415527  0.389239  1
  S  S95  1  0.916445  0.041577  0.389397  1
  S  S96  1  -0.000000  0.166277  0.389277  1
  S  S97  1  0.084617  0.792391  0.608067  1
  S  S98  1  0.168125  0.917586  0.611330  1
  S  S99  1  0.083484  0.539985  0.611276  1
  S  S100  1  0.166430  0.666806  0.610184  1
  S  S101  1  0.251542  0.792420  0.611329  1
  S  S102  1  0.334135  0.917270  0.610834  1
  S  S103  1  0.083374  0.291033  0.610812  1
  S  S104  1  0.166784  0.415887  0.610778  1
  S  S105  1  0.249914  0.541522  0.610553  1
  S  S106  1  0.333395  0.666884  0.610580  1
  S  S107  1  0.417082  0.792106  0.610888  1
  S  S108  1  0.500000  0.917155  0.610948  1
  S  S109  1  0.083555  0.041577  0.610603  1
  S  S110  1  0.166782  0.166466  0.610769  1
  S  S111  1  0.250081  0.291353  0.610789  1
  S  S112  1  0.333334  0.416595  0.610682  1
  S  S113  1  0.416629  0.541797  0.610618  1
  S  S114  1  0.500000  0.666886  0.610692  1
  S  S115  1  0.582918  0.792106  0.610888  1
  S  S116  1  0.665865  0.917270  0.610834  1
  S  S117  1  0.250604  0.042072  0.610866  1
  S  S118  1  0.333556  0.166797  0.610832  1
  S  S119  1  0.416707  0.291734  0.610743  1
  S  S120  1  0.500000  0.416763  0.610681  1
  S  S121  1  0.583371  0.541797  0.610618  1
  S  S122  1  0.666605  0.666884  0.610580  1
  S  S123  1  0.748457  0.792420  0.611329  1
  S  S124  1  0.831875  0.917586  0.611330  1
  S  S125  1  0.416938  0.042058  0.610909  1
  S  S126  1  0.500000  0.166875  0.610826  1
  S  S127  1  0.583293  0.291734  0.610743  1
  S  S128  1  0.666666  0.416595  0.610682  1
  S  S129  1  0.750086  0.541522  0.610553  1
  S  S130  1  0.833570  0.666806  0.610184  1
  S  S131  1  0.915383  0.792391  0.608067  1
  S  S132  1  -0.000000  0.916534  0.610258  1
  S  S133  1  0.583062  0.042058  0.610909  1
  S  S134  1  0.666444  0.166797  0.610832  1
  S  S135  1  0.749919  0.291353  0.610789  1
  S  S136  1  0.833216  0.415887  0.610778  1
  S  S137  1  0.916516  0.539985  0.611276  1
  S  S138  1  0.000000  0.665206  0.607967  1
  S  S139  1  0.749396  0.042072  0.610866  1
  S  S140  1  0.833218  0.166466  0.610769  1
  S  S141  1  0.916626  0.291033  0.610812  1
  S  S142  1  0.000000  0.415527  0.610761  1
  S  S143  1  0.916445  0.041577  0.610603  1
  S  S144  1  0.000000  0.166277  0.610723  1
