# generated using pymatgen
data_OsW47S96
_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   OsW47S96
_chemical_formula_sum   'Os1 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
  Os  Os1  1  0.000000  0.750021  0.500000  1
  W  W2  1  0.083626  0.875139  0.500000  1
  W  W3  1  -0.000000  0.500150  0.500000  1
  W  W4  1  0.083381  0.624722  0.500000  1
  W  W5  1  0.167020  0.750110  0.500000  1
  W  W6  1  0.249951  0.874890  0.500000  1
  W  W7  1  0.000000  0.250239  0.500000  1
  W  W8  1  0.083355  0.375308  0.500000  1
  W  W9  1  0.166801  0.500353  0.500000  1
  W  W10  1  0.249999  0.625026  0.500000  1
  W  W11  1  0.333178  0.749685  0.500000  1
  W  W12  1  0.416577  0.874684  0.500000  1
  W  W13  1  0.000000  -0.000017  0.500000  1
  W  W14  1  0.083244  0.125083  0.500000  1
  W  W15  1  0.166587  0.250175  0.500000  1
  W  W16  1  0.250010  0.375230  0.500000  1
  W  W17  1  0.333357  0.500108  0.500000  1
  W  W18  1  0.416676  0.624924  0.500000  1
  W  W19  1  0.500000  0.749688  0.500000  1
  W  W20  1  0.583423  0.874684  0.500000  1
  W  W21  1  0.166290  -0.000075  0.500000  1
  W  W22  1  0.249783  0.124972  0.500000  1
  W  W23  1  0.333230  0.250052  0.500000  1
  W  W24  1  0.416655  0.375110  0.500000  1
  W  W25  1  0.500000  0.500047  0.500000  1
  W  W26  1  0.583324  0.624924  0.500000  1
  W  W27  1  0.666822  0.749685  0.500000  1
  W  W28  1  0.750049  0.874890  0.500000  1
  W  W29  1  0.333124  -0.000194  0.500000  1
  W  W30  1  0.416565  0.124848  0.500000  1
  W  W31  1  0.500000  0.250003  0.500000  1
  W  W32  1  0.583345  0.375110  0.500000  1
  W  W33  1  0.666643  0.500108  0.500000  1
  W  W34  1  0.750001  0.625026  0.500000  1
  W  W35  1  0.832980  0.750110  0.500000  1
  W  W36  1  0.916374  0.875139  0.500000  1
  W  W37  1  0.500000  -0.000280  0.500000  1
  W  W38  1  0.583435  0.124848  0.500000  1
  W  W39  1  0.666770  0.250052  0.500000  1
  W  W40  1  0.749990  0.375230  0.500000  1
  W  W41  1  0.833199  0.500353  0.500000  1
  W  W42  1  0.916619  0.624722  0.500000  1
  W  W43  1  0.666876  -0.000194  0.500000  1
  W  W44  1  0.750217  0.124972  0.500000  1
  W  W45  1  0.833413  0.250175  0.500000  1
  W  W46  1  0.916644  0.375308  0.500000  1
  W  W47  1  0.833710  -0.000075  0.500000  1
  W  W48  1  0.916756  0.125083  0.500000  1
  S  S49  1  0.082624  0.791278  0.390790  1
  S  S50  1  0.166769  0.916588  0.389064  1
  S  S51  1  0.083261  0.541650  0.389053  1
  S  S52  1  0.166625  0.666700  0.389122  1
  S  S53  1  0.250070  0.791706  0.389055  1
  S  S54  1  0.333342  0.916509  0.389212  1
  S  S55  1  0.083322  0.291907  0.389320  1
  S  S56  1  0.166699  0.416963  0.389293  1
  S  S57  1  0.250107  0.541778  0.389111  1
  S  S58  1  0.333358  0.666520  0.389098  1
  S  S59  1  0.416601  0.791373  0.389253  1
  S  S60  1  0.500000  0.916343  0.389314  1
  S  S61  1  0.083199  0.041737  0.389162  1
  S  S62  1  0.166560  0.166763  0.389317  1
  S  S63  1  0.249932  0.291830  0.389382  1
  S  S64  1  0.333338  0.416794  0.389280  1
  S  S65  1  0.416694  0.541668  0.389191  1
  S  S66  1  0.500000  0.666509  0.389126  1
  S  S67  1  0.583399  0.791373  0.389253  1
  S  S68  1  0.666658  0.916509  0.389212  1
  S  S69  1  0.249746  0.041544  0.389336  1
  S  S70  1  0.333201  0.166609  0.389437  1
  S  S71  1  0.416623  0.291714  0.389451  1
  S  S72  1  0.500000  0.416744  0.389319  1
  S  S73  1  0.583306  0.541668  0.389191  1
  S  S74  1  0.666642  0.666520  0.389098  1
  S  S75  1  0.749930  0.791706  0.389055  1
  S  S76  1  0.833231  0.916588  0.389064  1
  S  S77  1  0.416582  0.041446  0.389394  1
  S  S78  1  0.500000  0.166548  0.389504  1
  S  S79  1  0.583377  0.291714  0.389451  1
  S  S80  1  0.666662  0.416794  0.389280  1
  S  S81  1  0.749893  0.541778  0.389111  1
  S  S82  1  0.833375  0.666700  0.389122  1
  S  S83  1  0.917376  0.791278  0.390790  1
  S  S84  1  0.000000  0.916584  0.389144  1
  S  S85  1  0.583418  0.041446  0.389394  1
  S  S86  1  0.666799  0.166609  0.389437  1
  S  S87  1  0.750068  0.291830  0.389382  1
  S  S88  1  0.833301  0.416963  0.389293  1
  S  S89  1  0.916739  0.541650  0.389053  1
  S  S90  1  0.000000  0.667407  0.390813  1
  S  S91  1  0.750254  0.041544  0.389336  1
  S  S92  1  0.833440  0.166763  0.389317  1
  S  S93  1  0.916678  0.291907  0.389320  1
  S  S94  1  0.000000  0.416809  0.389202  1
  S  S95  1  0.916801  0.041737  0.389162  1
  S  S96  1  0.000000  0.166838  0.389282  1
  S  S97  1  0.082624  0.791278  0.609210  1
  S  S98  1  0.166769  0.916588  0.610936  1
  S  S99  1  0.083261  0.541650  0.610947  1
  S  S100  1  0.166625  0.666700  0.610878  1
  S  S101  1  0.250070  0.791706  0.610945  1
  S  S102  1  0.333342  0.916509  0.610788  1
  S  S103  1  0.083322  0.291907  0.610680  1
  S  S104  1  0.166699  0.416963  0.610707  1
  S  S105  1  0.250107  0.541778  0.610888  1
  S  S106  1  0.333358  0.666520  0.610902  1
  S  S107  1  0.416601  0.791373  0.610747  1
  S  S108  1  0.500000  0.916343  0.610686  1
  S  S109  1  0.083199  0.041737  0.610838  1
  S  S110  1  0.166560  0.166763  0.610683  1
  S  S111  1  0.249932  0.291830  0.610618  1
  S  S112  1  0.333338  0.416794  0.610720  1
  S  S113  1  0.416694  0.541668  0.610809  1
  S  S114  1  0.500000  0.666509  0.610874  1
  S  S115  1  0.583399  0.791373  0.610747  1
  S  S116  1  0.666658  0.916509  0.610788  1
  S  S117  1  0.249746  0.041544  0.610664  1
  S  S118  1  0.333201  0.166609  0.610563  1
  S  S119  1  0.416623  0.291714  0.610549  1
  S  S120  1  0.500000  0.416744  0.610681  1
  S  S121  1  0.583306  0.541668  0.610809  1
  S  S122  1  0.666642  0.666520  0.610902  1
  S  S123  1  0.749930  0.791706  0.610945  1
  S  S124  1  0.833231  0.916588  0.610936  1
  S  S125  1  0.416582  0.041446  0.610606  1
  S  S126  1  0.500000  0.166548  0.610496  1
  S  S127  1  0.583377  0.291714  0.610549  1
  S  S128  1  0.666662  0.416794  0.610720  1
  S  S129  1  0.749893  0.541778  0.610889  1
  S  S130  1  0.833375  0.666700  0.610878  1
  S  S131  1  0.917376  0.791278  0.609210  1
  S  S132  1  -0.000000  0.916584  0.610856  1
  S  S133  1  0.583418  0.041446  0.610606  1
  S  S134  1  0.666799  0.166609  0.610563  1
  S  S135  1  0.750068  0.291830  0.610618  1
  S  S136  1  0.833301  0.416963  0.610707  1
  S  S137  1  0.916739  0.541650  0.610947  1
  S  S138  1  0.000000  0.667407  0.609187  1
  S  S139  1  0.750254  0.041544  0.610664  1
  S  S140  1  0.833440  0.166763  0.610683  1
  S  S141  1  0.916678  0.291907  0.610680  1
  S  S142  1  -0.000000  0.416809  0.610798  1
  S  S143  1  0.916801  0.041737  0.610838  1
  S  S144  1  0.000000  0.166838  0.610718  1
