# 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  0.791674  0.391182  1
  W  W2  1  -0.000448  0.749816  0.499116  1
  W  W3  1  0.083333  0.875491  0.499215  1
  W  W4  1  -0.000104  0.499616  0.500015  1
  W  W5  1  0.083333  0.624078  0.499521  1
  W  W6  1  0.167115  0.749816  0.499116  1
  W  W7  1  0.250992  0.875469  0.499518  1
  W  W8  1  0.000070  0.250008  0.500028  1
  W  W9  1  0.083333  0.374919  0.500038  1
  W  W10  1  0.166771  0.499616  0.500015  1
  W  W11  1  0.250147  0.624538  0.500215  1
  W  W12  1  0.333951  0.750191  0.500251  1
  W  W13  1  0.417178  0.875063  0.500033  1
  W  W14  1  -0.000433  0.000366  0.500212  1
  W  W15  1  0.083333  0.125115  0.500113  1
  W  W16  1  0.166597  0.250008  0.500028  1
  W  W17  1  0.250029  0.374998  0.500028  1
  W  W18  1  0.333412  0.499921  0.500044  1
  W  W19  1  0.416761  0.625064  0.500131  1
  W  W20  1  0.500312  0.749990  0.500086  1
  W  W21  1  0.583333  0.874913  0.500090  1
  W  W22  1  0.167100  0.000366  0.500212  1
  W  W23  1  0.250107  0.125162  0.500039  1
  W  W24  1  0.333227  0.250078  0.499981  1
  W  W25  1  0.416681  0.375066  0.499979  1
  W  W26  1  0.499987  0.500193  0.500011  1
  W  W27  1  0.583333  0.625102  0.500009  1
  W  W28  1  0.666355  0.749990  0.500086  1
  W  W29  1  0.749488  0.875063  0.500033  1
  W  W30  1  0.333735  0.000246  0.500001  1
  W  W31  1  0.416681  0.124985  0.500034  1
  W  W32  1  0.499968  0.249989  0.499991  1
  W  W33  1  0.583333  0.375136  0.499996  1
  W  W34  1  0.666680  0.500193  0.500011  1
  W  W35  1  0.749906  0.625064  0.500131  1
  W  W36  1  0.832715  0.750191  0.500251  1
  W  W37  1  0.915675  0.875469  0.499518  1
  W  W38  1  0.500149  -0.000060  0.500050  1
  W  W39  1  0.583333  0.124874  0.500047  1
  W  W40  1  0.666699  0.249989  0.499991  1
  W  W41  1  0.749986  0.375066  0.499979  1
  W  W42  1  0.833255  0.499921  0.500044  1
  W  W43  1  0.916520  0.624538  0.500215  1
  W  W44  1  0.666517  -0.000060  0.500050  1
  W  W45  1  0.749985  0.124985  0.500034  1
  W  W46  1  0.833440  0.250078  0.499981  1
  W  W47  1  0.916637  0.374998  0.500028  1
  W  W48  1  0.832932  0.000246  0.500001  1
  W  W49  1  0.916559  0.125162  0.500039  1
  S  S50  1  0.167631  0.917365  0.389398  1
  S  S51  1  0.083333  0.540756  0.388995  1
  S  S52  1  0.166934  0.665566  0.389363  1
  S  S53  1  0.251262  0.791968  0.389394  1
  S  S54  1  0.334336  0.917035  0.388978  1
  S  S55  1  0.083333  0.291642  0.389254  1
  S  S56  1  0.166632  0.416396  0.389176  1
  S  S57  1  0.250058  0.541240  0.389251  1
  S  S58  1  0.333428  0.666638  0.389471  1
  S  S59  1  0.417277  0.791758  0.389272  1
  S  S60  1  0.500346  0.916667  0.389084  1
  S  S61  1  0.083333  0.041735  0.389481  1
  S  S62  1  0.166664  0.166665  0.389303  1
  S  S63  1  0.249903  0.291667  0.389316  1
  S  S64  1  0.333296  0.416676  0.389309  1
  S  S65  1  0.416625  0.541770  0.389280  1
  S  S66  1  0.500016  0.666721  0.389174  1
  S  S67  1  0.583333  0.791613  0.389008  1
  S  S68  1  0.666321  0.916667  0.389084  1
  S  S69  1  0.250451  0.041905  0.389272  1
  S  S70  1  0.333368  0.166679  0.389320  1
  S  S71  1  0.416598  0.291689  0.389468  1
  S  S72  1  0.499971  0.416832  0.389421  1
  S  S73  1  0.583333  0.541821  0.389259  1
  S  S74  1  0.666651  0.666721  0.389174  1
  S  S75  1  0.749390  0.791758  0.389272  1
  S  S76  1  0.832331  0.917035  0.388978  1
  S  S77  1  0.417030  0.041675  0.389172  1
  S  S78  1  0.500013  0.166555  0.389448  1
  S  S79  1  0.583333  0.291687  0.389569  1
  S  S80  1  0.666696  0.416832  0.389421  1
  S  S81  1  0.750042  0.541770  0.389280  1
  S  S82  1  0.833239  0.666638  0.389471  1
  S  S83  1  0.915405  0.791968  0.389394  1
  S  S84  1  -0.000964  0.917365  0.389398  1
  S  S85  1  0.583333  0.041523  0.389228  1
  S  S86  1  0.666653  0.166555  0.389448  1
  S  S87  1  0.750069  0.291689  0.389468  1
  S  S88  1  0.833371  0.416676  0.389309  1
  S  S89  1  0.916608  0.541240  0.389251  1
  S  S90  1  -0.000268  0.665566  0.389363  1
  S  S91  1  0.749637  0.041675  0.389172  1
  S  S92  1  0.833299  0.166679  0.389320  1
  S  S93  1  0.916764  0.291667  0.389316  1
  S  S94  1  0.000035  0.416396  0.389176  1
  S  S95  1  0.916215  0.041905  0.389272  1
  S  S96  1  0.000003  0.166665  0.389303  1
  S  S97  1  0.083333  0.791672  0.610358  1
  S  S98  1  0.167502  0.916858  0.610215  1
  S  S99  1  0.083333  0.541141  0.610686  1
  S  S100  1  0.166459  0.665976  0.610192  1
  S  S101  1  0.250602  0.792143  0.610196  1
  S  S102  1  0.333920  0.916869  0.610684  1
  S  S103  1  0.083333  0.291621  0.610783  1
  S  S104  1  0.166672  0.416428  0.610887  1
  S  S105  1  0.250026  0.541243  0.610894  1
  S  S106  1  0.333392  0.666630  0.610829  1
  S  S107  1  0.417210  0.791807  0.610887  1
  S  S108  1  0.500281  0.916648  0.611033  1
  S  S109  1  0.083333  0.041691  0.610798  1
  S  S110  1  0.166688  0.166683  0.610824  1
  S  S111  1  0.249931  0.291656  0.610699  1
  S  S112  1  0.333335  0.416642  0.610738  1
  S  S113  1  0.416641  0.541731  0.610850  1
  S  S114  1  0.500063  0.666693  0.610955  1
  S  S115  1  0.583333  0.791630  0.611118  1
  S  S116  1  0.666386  0.916648  0.611033  1
  S  S117  1  0.250473  0.041888  0.610848  1
  S  S118  1  0.333373  0.166725  0.610722  1
  S  S119  1  0.416599  0.291695  0.610503  1
  S  S120  1  0.499969  0.416819  0.610551  1
  S  S121  1  0.583333  0.541809  0.610731  1
  S  S122  1  0.666604  0.666693  0.610955  1
  S  S123  1  0.749457  0.791806  0.610887  1
  S  S124  1  0.832746  0.916869  0.610684  1
  S  S125  1  0.416961  0.041686  0.610893  1
  S  S126  1  0.500010  0.166589  0.610592  1
  S  S127  1  0.583333  0.291686  0.610419  1
  S  S128  1  0.666697  0.416819  0.610551  1
  S  S129  1  0.750026  0.541731  0.610850  1
  S  S130  1  0.833275  0.666630  0.610829  1
  S  S131  1  0.916065  0.792143  0.610196  1
  S  S132  1  -0.000836  0.916858  0.610215  1
  S  S133  1  0.583333  0.041548  0.610854  1
  S  S134  1  0.666657  0.166589  0.610592  1
  S  S135  1  0.750068  0.291695  0.610503  1
  S  S136  1  0.833331  0.416642  0.610738  1
  S  S137  1  0.916641  0.541243  0.610894  1
  S  S138  1  0.000208  0.665976  0.610192  1
  S  S139  1  0.749705  0.041686  0.610893  1
  S  S140  1  0.833293  0.166725  0.610722  1
  S  S141  1  0.916735  0.291656  0.610699  1
  S  S142  1  -0.000005  0.416428  0.610887  1
  S  S143  1  0.916194  0.041888  0.610848  1
  S  S144  1  -0.000021  0.166683  0.610824  1
