# generated using pymatgen
data_PW47S96
_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   PW47S96
_chemical_formula_sum   'P1 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
  P  P1  1  -0.000000  0.749968  0.500000  1
  W  W2  1  0.085291  0.877815  0.500000  1
  W  W3  1  0.000000  0.498831  0.500000  1
  W  W4  1  0.085160  0.622139  0.500000  1
  W  W5  1  0.170418  0.750069  0.500000  1
  W  W6  1  0.251057  0.875616  0.500000  1
  W  W7  1  -0.000000  0.249603  0.500000  1
  W  W8  1  0.083530  0.374171  0.500000  1
  W  W9  1  0.166595  0.498794  0.500000  1
  W  W10  1  0.250237  0.624887  0.500000  1
  W  W11  1  0.334287  0.750683  0.500000  1
  W  W12  1  0.417209  0.875397  0.500000  1
  W  W13  1  0.000000  0.000205  0.500000  1
  W  W14  1  0.083497  0.125051  0.500000  1
  W  W15  1  0.166805  0.249738  0.500000  1
  W  W16  1  0.250193  0.374557  0.500000  1
  W  W17  1  0.333475  0.499797  0.500000  1
  W  W18  1  0.416832  0.625047  0.500000  1
  W  W19  1  0.500000  0.750264  0.500000  1
  W  W20  1  0.582791  0.875397  0.500000  1
  W  W21  1  0.167894  0.000521  0.500000  1
  W  W22  1  0.250367  0.125264  0.500000  1
  W  W23  1  0.333508  0.249993  0.500000  1
  W  W24  1  0.416737  0.374949  0.500000  1
  W  W25  1  0.500000  0.500016  0.500000  1
  W  W26  1  0.583168  0.625047  0.500000  1
  W  W27  1  0.665713  0.750683  0.500000  1
  W  W28  1  0.748943  0.875616  0.500000  1
  W  W29  1  0.333914  0.000588  0.500000  1
  W  W30  1  0.416854  0.125258  0.500000  1
  W  W31  1  0.500000  0.250089  0.500000  1
  W  W32  1  0.583263  0.374949  0.500000  1
  W  W33  1  0.666525  0.499797  0.500000  1
  W  W34  1  0.749763  0.624887  0.500000  1
  W  W35  1  0.829582  0.750069  0.500000  1
  W  W36  1  0.914709  0.877815  0.500000  1
  W  W37  1  0.500000  0.000376  0.500000  1
  W  W38  1  0.583146  0.125258  0.500000  1
  W  W39  1  0.666492  0.249993  0.500000  1
  W  W40  1  0.749807  0.374557  0.500000  1
  W  W41  1  0.833405  0.498794  0.500000  1
  W  W42  1  0.914840  0.622139  0.500000  1
  W  W43  1  0.666086  0.000588  0.500000  1
  W  W44  1  0.749633  0.125264  0.500000  1
  W  W45  1  0.833195  0.249738  0.500000  1
  W  W46  1  0.916470  0.374171  0.500000  1
  W  W47  1  0.832106  0.000521  0.500000  1
  W  W48  1  0.916503  0.125051  0.500000  1
  S  S49  1  0.083130  0.791583  0.395982  1
  S  S50  1  0.168438  0.917759  0.388473  1
  S  S51  1  0.083520  0.539767  0.388514  1
  S  S52  1  0.167072  0.666470  0.389651  1
  S  S53  1  0.251868  0.792521  0.388427  1
  S  S54  1  0.334171  0.917256  0.389265  1
  S  S55  1  0.083390  0.291107  0.389157  1
  S  S56  1  0.166855  0.415786  0.389136  1
  S  S57  1  0.250048  0.541263  0.389517  1
  S  S58  1  0.333700  0.666862  0.389475  1
  S  S59  1  0.417210  0.792076  0.389037  1
  S  S60  1  0.500000  0.917140  0.389006  1
  S  S61  1  0.083725  0.041819  0.389477  1
  S  S62  1  0.166810  0.166603  0.389198  1
  S  S63  1  0.250131  0.291381  0.389186  1
  S  S64  1  0.333427  0.416515  0.389268  1
  S  S65  1  0.416692  0.541680  0.389301  1
  S  S66  1  0.500000  0.666767  0.389271  1
  S  S67  1  0.582790  0.792076  0.389037  1
  S  S68  1  0.665829  0.917256  0.389265  1
  S  S69  1  0.250724  0.042210  0.389071  1
  S  S70  1  0.333581  0.166839  0.389156  1
  S  S71  1  0.416736  0.291707  0.389211  1
  S  S72  1  0.500000  0.416696  0.389278  1
  S  S73  1  0.583308  0.541680  0.389301  1
  S  S74  1  0.666300  0.666862  0.389475  1
  S  S75  1  0.748132  0.792521  0.388427  1
  S  S76  1  0.831562  0.917759  0.388473  1
  S  S77  1  0.416969  0.042071  0.389087  1
  S  S78  1  0.500000  0.166877  0.389143  1
  S  S79  1  0.583264  0.291707  0.389211  1
  S  S80  1  0.666573  0.416515  0.389268  1
  S  S81  1  0.749952  0.541263  0.389517  1
  S  S82  1  0.832928  0.666470  0.389651  1
  S  S83  1  0.916870  0.791583  0.395982  1
  S  S84  1  -0.000000  0.917045  0.389658  1
  S  S85  1  0.583031  0.042071  0.389087  1
  S  S86  1  0.666419  0.166839  0.389156  1
  S  S87  1  0.749869  0.291381  0.389186  1
  S  S88  1  0.833145  0.415786  0.389136  1
  S  S89  1  0.916480  0.539767  0.388514  1
  S  S90  1  0.000000  0.666893  0.396017  1
  S  S91  1  0.749276  0.042210  0.389071  1
  S  S92  1  0.833190  0.166603  0.389198  1
  S  S93  1  0.916610  0.291107  0.389157  1
  S  S94  1  0.000000  0.415596  0.389353  1
  S  S95  1  0.916275  0.041819  0.389477  1
  S  S96  1  -0.000000  0.166443  0.389236  1
  S  S97  1  0.083130  0.791583  0.604018  1
  S  S98  1  0.168438  0.917759  0.611527  1
  S  S99  1  0.083520  0.539767  0.611487  1
  S  S100  1  0.167072  0.666470  0.610349  1
  S  S101  1  0.251868  0.792521  0.611573  1
  S  S102  1  0.334171  0.917256  0.610735  1
  S  S103  1  0.083390  0.291107  0.610843  1
  S  S104  1  0.166855  0.415786  0.610864  1
  S  S105  1  0.250048  0.541263  0.610483  1
  S  S106  1  0.333700  0.666862  0.610525  1
  S  S107  1  0.417210  0.792076  0.610963  1
  S  S108  1  0.500000  0.917140  0.610994  1
  S  S109  1  0.083725  0.041819  0.610523  1
  S  S110  1  0.166810  0.166603  0.610802  1
  S  S111  1  0.250131  0.291381  0.610814  1
  S  S112  1  0.333427  0.416515  0.610732  1
  S  S113  1  0.416692  0.541680  0.610699  1
  S  S114  1  0.500000  0.666767  0.610729  1
  S  S115  1  0.582790  0.792076  0.610963  1
  S  S116  1  0.665829  0.917256  0.610735  1
  S  S117  1  0.250724  0.042210  0.610929  1
  S  S118  1  0.333581  0.166839  0.610844  1
  S  S119  1  0.416736  0.291707  0.610789  1
  S  S120  1  0.500000  0.416696  0.610722  1
  S  S121  1  0.583308  0.541680  0.610699  1
  S  S122  1  0.666300  0.666862  0.610525  1
  S  S123  1  0.748132  0.792521  0.611573  1
  S  S124  1  0.831562  0.917759  0.611527  1
  S  S125  1  0.416969  0.042071  0.610913  1
  S  S126  1  0.500000  0.166877  0.610857  1
  S  S127  1  0.583264  0.291707  0.610789  1
  S  S128  1  0.666573  0.416515  0.610732  1
  S  S129  1  0.749952  0.541263  0.610483  1
  S  S130  1  0.832928  0.666470  0.610349  1
  S  S131  1  0.916870  0.791583  0.604018  1
  S  S132  1  0.000000  0.917045  0.610342  1
  S  S133  1  0.583031  0.042071  0.610913  1
  S  S134  1  0.666419  0.166839  0.610844  1
  S  S135  1  0.749869  0.291381  0.610814  1
  S  S136  1  0.833145  0.415786  0.610864  1
  S  S137  1  0.916480  0.539767  0.611487  1
  S  S138  1  0.000000  0.666893  0.603983  1
  S  S139  1  0.749276  0.042210  0.610929  1
  S  S140  1  0.833190  0.166603  0.610802  1
  S  S141  1  0.916610  0.291107  0.610843  1
  S  S142  1  0.000000  0.415596  0.610647  1
  S  S143  1  0.916275  0.041819  0.610523  1
  S  S144  1  -0.000000  0.166443  0.610764  1
