# generated using pymatgen
data_AlW48S95
_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   AlW48S95
_chemical_formula_sum   'Al1 W48 S95'
_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  0.083368  0.824113  0.342034  1
  W  W2  1  0.002356  0.751459  0.507376  1
  W  W3  1  0.083333  0.873377  0.515207  1
  W  W4  1  0.000115  0.500746  0.500771  1
  W  W5  1  0.083333  0.627229  0.503941  1
  W  W6  1  0.164305  0.751462  0.507372  1
  W  W7  1  0.248006  0.873273  0.504529  1
  W  W8  1  0.000137  0.249989  0.499289  1
  W  W9  1  0.083333  0.375465  0.499914  1
  W  W10  1  0.166551  0.500746  0.500771  1
  W  W11  1  0.249586  0.625680  0.501081  1
  W  W12  1  0.332366  0.749588  0.500831  1
  W  W13  1  0.416319  0.874202  0.500344  1
  W  W14  1  0.000760  0.998941  0.501742  1
  W  W15  1  0.083333  0.124888  0.499808  1
  W  W16  1  0.166529  0.249989  0.499289  1
  W  W17  1  0.249830  0.375246  0.499255  1
  W  W18  1  0.333072  0.500370  0.499291  1
  W  W19  1  0.416550  0.624902  0.499356  1
  W  W20  1  0.499726  0.749565  0.499379  1
  W  W21  1  0.583333  0.874360  0.499419  1
  W  W22  1  0.165907  0.998943  0.501743  1
  W  W23  1  0.249590  0.124459  0.499268  1
  W  W24  1  0.333043  0.249826  0.498497  1
  W  W25  1  0.416442  0.374943  0.498240  1
  W  W26  1  0.499966  0.499927  0.498364  1
  W  W27  1  0.583333  0.624851  0.498783  1
  W  W28  1  0.666940  0.749565  0.499379  1
  W  W29  1  0.750347  0.874202  0.500344  1
  W  W30  1  0.332558  0.999259  0.500387  1
  W  W31  1  0.416312  0.124326  0.498578  1
  W  W32  1  0.499892  0.249539  0.497857  1
  W  W33  1  0.583333  0.374842  0.497807  1
  W  W34  1  0.666700  0.499927  0.498364  1
  W  W35  1  0.750116  0.624902  0.499356  1
  W  W36  1  0.834299  0.749588  0.500832  1
  W  W37  1  0.918661  0.873273  0.504530  1
  W  W38  1  0.499725  0.999186  0.499204  1
  W  W39  1  0.583333  0.124346  0.498234  1
  W  W40  1  0.666774  0.249539  0.497857  1
  W  W41  1  0.750224  0.374942  0.498241  1
  W  W42  1  0.833594  0.500370  0.499291  1
  W  W43  1  0.917079  0.625679  0.501081  1
  W  W44  1  0.666942  0.999186  0.499203  1
  W  W45  1  0.750355  0.124325  0.498578  1
  W  W46  1  0.833623  0.249826  0.498497  1
  W  W47  1  0.916836  0.375246  0.499255  1
  W  W48  1  0.834109  0.999258  0.500387  1
  W  W49  1  0.917077  0.124459  0.499267  1
  S  S50  1  0.164418  0.912073  0.394025  1
  S  S51  1  0.083333  0.544006  0.391480  1
  S  S52  1  0.164693  0.669925  0.393542  1
  S  S53  1  0.245876  0.791528  0.392804  1
  S  S54  1  0.331185  0.915000  0.391498  1
  S  S55  1  0.083333  0.292079  0.388881  1
  S  S56  1  0.166315  0.417613  0.389389  1
  S  S57  1  0.249132  0.542652  0.389657  1
  S  S58  1  0.332543  0.666765  0.389602  1
  S  S59  1  0.415551  0.791230  0.389470  1
  S  S60  1  0.499423  0.915738  0.388904  1
  S  S61  1  0.083333  0.040802  0.390462  1
  S  S62  1  0.166423  0.166388  0.388711  1
  S  S63  1  0.249544  0.291837  0.388369  1
  S  S64  1  0.332777  0.417085  0.388304  1
  S  S65  1  0.416209  0.541837  0.388230  1
  S  S66  1  0.499699  0.666554  0.388300  1
  S  S67  1  0.583333  0.791161  0.388664  1
  S  S68  1  0.667244  0.915738  0.388904  1
  S  S69  1  0.248934  0.040263  0.389760  1
  S  S70  1  0.332762  0.166046  0.388198  1
  S  S71  1  0.416269  0.291443  0.387635  1
  S  S72  1  0.499749  0.416657  0.387512  1
  S  S73  1  0.583333  0.541731  0.387733  1
  S  S74  1  0.666966  0.666554  0.388300  1
  S  S75  1  0.751115  0.791230  0.389470  1
  S  S76  1  0.835483  0.914999  0.391498  1
  S  S77  1  0.415801  0.040419  0.388733  1
  S  S78  1  0.499707  0.165826  0.387624  1
  S  S79  1  0.583333  0.291278  0.387311  1
  S  S80  1  0.666918  0.416657  0.387512  1
  S  S81  1  0.750457  0.541837  0.388230  1
  S  S82  1  0.834123  0.666765  0.389602  1
  S  S83  1  0.920790  0.791527  0.392808  1
  S  S84  1  0.002252  0.912070  0.394026  1
  S  S85  1  0.583333  0.040546  0.388268  1
  S  S86  1  0.666960  0.165826  0.387624  1
  S  S87  1  0.750398  0.291442  0.387635  1
  S  S88  1  0.833889  0.417084  0.388304  1
  S  S89  1  0.917534  0.542651  0.389656  1
  S  S90  1  0.001972  0.669926  0.393544  1
  S  S91  1  0.750866  0.040419  0.388733  1
  S  S92  1  0.833904  0.166045  0.388198  1
  S  S93  1  0.917122  0.291836  0.388369  1
  S  S94  1  0.000351  0.417613  0.389388  1
  S  S95  1  0.917733  0.040261  0.389760  1
  S  S96  1  0.000243  0.166388  0.388711  1
  S  S97  1  0.083332  0.790625  0.622384  1
  S  S98  1  0.167641  0.917835  0.618504  1
  S  S99  1  0.083333  0.542045  0.612160  1
  S  S100  1  0.167834  0.667367  0.615159  1
  S  S101  1  0.250078  0.789979  0.615678  1
  S  S102  1  0.333722  0.916226  0.611843  1
  S  S103  1  0.083333  0.291724  0.610131  1
  S  S104  1  0.166815  0.416821  0.610642  1
  S  S105  1  0.250318  0.541847  0.611133  1
  S  S106  1  0.333761  0.666307  0.611207  1
  S  S107  1  0.416650  0.790906  0.610910  1
  S  S108  1  0.500131  0.916106  0.610363  1
  S  S109  1  0.083333  0.041939  0.611713  1
  S  S110  1  0.166737  0.166668  0.610195  1
  S  S111  1  0.250091  0.291638  0.609597  1
  S  S112  1  0.333504  0.416690  0.609459  1
  S  S113  1  0.416906  0.541441  0.609687  1
  S  S114  1  0.500129  0.666257  0.609945  1
  S  S115  1  0.583333  0.791080  0.610055  1
  S  S116  1  0.666536  0.916106  0.610363  1
  S  S117  1  0.249692  0.041675  0.611070  1
  S  S118  1  0.333276  0.166415  0.609247  1
  S  S119  1  0.416727  0.291419  0.608647  1
  S  S120  1  0.500061  0.416409  0.608635  1
  S  S121  1  0.583333  0.541383  0.609145  1
  S  S122  1  0.666537  0.666257  0.609945  1
  S  S123  1  0.750015  0.790906  0.610910  1
  S  S124  1  0.832945  0.916226  0.611843  1
  S  S125  1  0.416588  0.041292  0.609935  1
  S  S126  1  0.499955  0.166231  0.608675  1
  S  S127  1  0.583333  0.291320  0.608225  1
  S  S128  1  0.666605  0.416408  0.608635  1
  S  S129  1  0.749760  0.541441  0.609687  1
  S  S130  1  0.832904  0.666306  0.611207  1
  S  S131  1  0.916586  0.789979  0.615680  1
  S  S132  1  0.999026  0.917834  0.618504  1
  S  S133  1  0.583333  0.041195  0.609358  1
  S  S134  1  0.666711  0.166230  0.608674  1
  S  S135  1  0.749940  0.291418  0.608647  1
  S  S136  1  0.833162  0.416690  0.609459  1
  S  S137  1  0.916347  0.541846  0.611132  1
  S  S138  1  0.998830  0.667366  0.615161  1
  S  S139  1  0.750079  0.041291  0.609934  1
  S  S140  1  0.833391  0.166414  0.609247  1
  S  S141  1  0.916576  0.291638  0.609597  1
  S  S142  1  0.999851  0.416821  0.610642  1
  S  S143  1  0.916975  0.041675  0.611069  1
  S  S144  1  0.999929  0.166668  0.610195  1
