# generated using pymatgen
data_PW48S95
_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   PW48S95
_chemical_formula_sum   'P1 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
  P  P1  1  0.083333  0.791675  0.388562  1
  W  W2  1  -0.000004  0.749980  0.499734  1
  W  W3  1  0.083333  0.875037  0.499729  1
  W  W4  1  -0.000095  0.499506  0.499974  1
  W  W5  1  0.083333  0.624204  0.499709  1
  W  W6  1  0.166670  0.749980  0.499734  1
  W  W7  1  0.250797  0.875408  0.499722  1
  W  W8  1  -0.000051  0.250008  0.499992  1
  W  W9  1  0.083333  0.374775  0.499988  1
  W  W10  1  0.166762  0.499506  0.499974  1
  W  W11  1  0.250091  0.624569  0.500266  1
  W  W12  1  0.333772  0.750131  0.500267  1
  W  W13  1  0.417123  0.875184  0.499977  1
  W  W14  1  -0.000372  0.000297  0.500260  1
  W  W15  1  0.083333  0.125087  0.500100  1
  W  W16  1  0.166717  0.250008  0.499992  1
  W  W17  1  0.250073  0.374831  0.500000  1
  W  W18  1  0.333516  0.499731  0.500015  1
  W  W19  1  0.416711  0.624923  0.500096  1
  W  W20  1  0.500240  0.749988  0.500004  1
  W  W21  1  0.583333  0.875123  0.500012  1
  W  W22  1  0.167038  0.000297  0.500260  1
  W  W23  1  0.250175  0.125266  0.500017  1
  W  W24  1  0.333440  0.250057  0.499988  1
  W  W25  1  0.416747  0.374914  0.499986  1
  W  W26  1  0.500035  0.499902  0.499982  1
  W  W27  1  0.583333  0.624932  0.499971  1
  W  W28  1  0.666427  0.749988  0.500004  1
  W  W29  1  0.749543  0.875184  0.499977  1
  W  W30  1  0.333777  0.000341  0.499973  1
  W  W31  1  0.416823  0.125168  0.500005  1
  W  W32  1  0.500039  0.250042  0.500000  1
  W  W33  1  0.583333  0.374964  0.499992  1
  W  W34  1  0.666632  0.499901  0.499982  1
  W  W35  1  0.749956  0.624923  0.500096  1
  W  W36  1  0.832895  0.750131  0.500267  1
  W  W37  1  0.915870  0.875408  0.499722  1
  W  W38  1  0.500175  0.000182  0.499996  1
  W  W39  1  0.583333  0.125130  0.500010  1
  W  W40  1  0.666628  0.250042  0.500000  1
  W  W41  1  0.749920  0.374914  0.499986  1
  W  W42  1  0.833151  0.499731  0.500015  1
  W  W43  1  0.916576  0.624569  0.500266  1
  W  W44  1  0.666492  0.000182  0.499996  1
  W  W45  1  0.749844  0.125168  0.500005  1
  W  W46  1  0.833226  0.250057  0.499988  1
  W  W47  1  0.916594  0.374831  0.500000  1
  W  W48  1  0.832889  0.000341  0.499973  1
  W  W49  1  0.916492  0.125266  0.500017  1
  S  S50  1  0.167132  0.917022  0.389601  1
  S  S51  1  0.083333  0.540892  0.389155  1
  S  S52  1  0.166790  0.666142  0.389588  1
  S  S53  1  0.250560  0.791837  0.389608  1
  S  S54  1  0.334076  0.917070  0.389140  1
  S  S55  1  0.083333  0.291560  0.389164  1
  S  S56  1  0.166721  0.416279  0.389109  1
  S  S57  1  0.250127  0.541280  0.389377  1
  S  S58  1  0.333375  0.666622  0.389597  1
  S  S59  1  0.417043  0.791763  0.389370  1
  S  S60  1  0.500282  0.916879  0.389120  1
  S  S61  1  0.083333  0.041737  0.389596  1
  S  S62  1  0.166687  0.166729  0.389230  1
  S  S63  1  0.250066  0.291599  0.389139  1
  S  S64  1  0.333425  0.416482  0.389137  1
  S  S65  1  0.416735  0.541582  0.389231  1
  S  S66  1  0.500021  0.666603  0.389248  1
  S  S67  1  0.583333  0.791735  0.389123  1
  S  S68  1  0.666385  0.916879  0.389120  1
  S  S69  1  0.250320  0.041958  0.389375  1
  S  S70  1  0.333488  0.166816  0.389131  1
  S  S71  1  0.416740  0.291658  0.389105  1
  S  S72  1  0.500034  0.416597  0.389138  1
  S  S73  1  0.583334  0.541589  0.389188  1
  S  S74  1  0.666646  0.666603  0.389248  1
  S  S75  1  0.749624  0.791763  0.389370  1
  S  S76  1  0.832590  0.917070  0.389140  1
  S  S77  1  0.417007  0.041938  0.389107  1
  S  S78  1  0.500075  0.166776  0.389125  1
  S  S79  1  0.583333  0.291674  0.389137  1
  S  S80  1  0.666633  0.416597  0.389138  1
  S  S81  1  0.749931  0.541581  0.389231  1
  S  S82  1  0.833292  0.666622  0.389597  1
  S  S83  1  0.916107  0.791837  0.389608  1
  S  S84  1  -0.000465  0.917022  0.389601  1
  S  S85  1  0.583333  0.041844  0.389125  1
  S  S86  1  0.666591  0.166776  0.389125  1
  S  S87  1  0.749926  0.291657  0.389105  1
  S  S88  1  0.833241  0.416482  0.389137  1
  S  S89  1  0.916539  0.541280  0.389377  1
  S  S90  1  -0.000124  0.666142  0.389588  1
  S  S91  1  0.749659  0.041938  0.389107  1
  S  S92  1  0.833179  0.166816  0.389131  1
  S  S93  1  0.916601  0.291599  0.389139  1
  S  S94  1  -0.000054  0.416279  0.389109  1
  S  S95  1  0.916347  0.041958  0.389375  1
  S  S96  1  -0.000021  0.166729  0.389230  1
  S  S97  1  0.083333  0.791676  0.610855  1
  S  S98  1  0.167403  0.916835  0.610365  1
  S  S99  1  0.083333  0.541075  0.610584  1
  S  S100  1  0.166452  0.666025  0.610370  1
  S  S101  1  0.250506  0.792134  0.610358  1
  S  S102  1  0.333899  0.916981  0.610604  1
  S  S103  1  0.083333  0.291563  0.610833  1
  S  S104  1  0.166711  0.416311  0.610864  1
  S  S105  1  0.250084  0.541159  0.610720  1
  S  S106  1  0.333451  0.666578  0.610768  1
  S  S107  1  0.417133  0.791851  0.610719  1
  S  S108  1  0.500240  0.916877  0.610872  1
  S  S109  1  0.083333  0.041812  0.610765  1
  S  S110  1  0.166725  0.166770  0.610832  1
  S  S111  1  0.250064  0.291599  0.610845  1
  S  S112  1  0.333435  0.416466  0.610841  1
  S  S113  1  0.416758  0.541531  0.610822  1
  S  S114  1  0.500081  0.666605  0.610788  1
  S  S115  1  0.583333  0.791737  0.610851  1
  S  S116  1  0.666427  0.916877  0.610872  1
  S  S117  1  0.250454  0.041985  0.610717  1
  S  S118  1  0.333497  0.166831  0.610853  1
  S  S119  1  0.416740  0.291661  0.610861  1
  S  S120  1  0.500035  0.416596  0.610830  1
  S  S121  1  0.583333  0.541587  0.610787  1
  S  S122  1  0.666586  0.666605  0.610788  1
  S  S123  1  0.749534  0.791851  0.610718  1
  S  S124  1  0.832768  0.916981  0.610604  1
  S  S125  1  0.416977  0.041915  0.610873  1
  S  S126  1  0.500078  0.166778  0.610878  1
  S  S127  1  0.583333  0.291676  0.610846  1
  S  S128  1  0.666632  0.416596  0.610830  1
  S  S129  1  0.749909  0.541531  0.610822  1
  S  S130  1  0.833215  0.666578  0.610768  1
  S  S131  1  0.916161  0.792134  0.610358  1
  S  S132  1  -0.000736  0.916835  0.610365  1
  S  S133  1  0.583333  0.041845  0.610890  1
  S  S134  1  0.666589  0.166778  0.610878  1
  S  S135  1  0.749927  0.291661  0.610860  1
  S  S136  1  0.833232  0.416466  0.610841  1
  S  S137  1  0.916582  0.541159  0.610720  1
  S  S138  1  0.000215  0.666025  0.610370  1
  S  S139  1  0.749690  0.041915  0.610873  1
  S  S140  1  0.833170  0.166831  0.610853  1
  S  S141  1  0.916602  0.291599  0.610845  1
  S  S142  1  -0.000044  0.416311  0.610864  1
  S  S143  1  0.916213  0.041985  0.610716  1
  S  S144  1  -0.000058  0.166770  0.610832  1
