# 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  0.749984  0.500000  1
  W  W2  1  0.083657  0.875227  0.500000  1
  W  W3  1  -0.000000  0.500064  0.500000  1
  W  W4  1  0.083412  0.624641  0.500000  1
  W  W5  1  0.167072  0.750073  0.500000  1
  W  W6  1  0.250025  0.874944  0.500000  1
  W  W7  1  -0.000000  0.250370  0.500000  1
  W  W8  1  0.083403  0.375289  0.500000  1
  W  W9  1  0.166893  0.500233  0.500000  1
  W  W10  1  0.250075  0.624895  0.500000  1
  W  W11  1  0.333262  0.749604  0.500000  1
  W  W12  1  0.416619  0.874710  0.500000  1
  W  W13  1  -0.000000  0.000163  0.500001  1
  W  W14  1  0.083287  0.125282  0.500000  1
  W  W15  1  0.166671  0.250258  0.500000  1
  W  W16  1  0.250109  0.375149  0.500000  1
  W  W17  1  0.333444  0.499923  0.500000  1
  W  W18  1  0.416716  0.624754  0.500000  1
  W  W19  1  0.500000  0.749592  0.500000  1
  W  W20  1  0.583381  0.874710  0.500000  1
  W  W21  1  0.166358  0.000113  0.500001  1
  W  W22  1  0.249871  0.125126  0.500001  1
  W  W23  1  0.333322  0.250069  0.500000  1
  W  W24  1  0.416710  0.374959  0.500000  1
  W  W25  1  0.500000  0.499826  0.500000  1
  W  W26  1  0.583284  0.624754  0.500000  1
  W  W27  1  0.666738  0.749604  0.500000  1
  W  W28  1  0.749975  0.874944  0.500000  1
  W  W29  1  0.333205  -0.000069  0.500001  1
  W  W30  1  0.416610  0.124955  0.500000  1
  W  W31  1  0.500000  0.249973  0.500000  1
  W  W32  1  0.583290  0.374959  0.500000  1
  W  W33  1  0.666556  0.499923  0.500000  1
  W  W34  1  0.749925  0.624895  0.500000  1
  W  W35  1  0.832928  0.750073  0.500000  1
  W  W36  1  0.916343  0.875227  0.500000  1
  W  W37  1  0.500000  -0.000185  0.500000  1
  W  W38  1  0.583390  0.124955  0.500000  1
  W  W39  1  0.666678  0.250069  0.500000  1
  W  W40  1  0.749891  0.375149  0.500000  1
  W  W41  1  0.833107  0.500233  0.500000  1
  W  W42  1  0.916588  0.624641  0.500000  1
  W  W43  1  0.666795  -0.000069  0.500001  1
  W  W44  1  0.750129  0.125126  0.500001  1
  W  W45  1  0.833329  0.250258  0.500000  1
  W  W46  1  0.916597  0.375289  0.500000  1
  W  W47  1  0.833642  0.000113  0.500001  1
  W  W48  1  0.916713  0.125282  0.500000  1
  S  S49  1  0.082640  0.791295  0.390861  1
  S  S50  1  0.166843  0.916741  0.389104  1
  S  S51  1  0.083321  0.541528  0.389068  1
  S  S52  1  0.166706  0.666609  0.389159  1
  S  S53  1  0.250171  0.791703  0.389103  1
  S  S54  1  0.333405  0.916610  0.389221  1
  S  S55  1  0.083383  0.291949  0.389203  1
  S  S56  1  0.166810  0.416844  0.389212  1
  S  S57  1  0.250239  0.541600  0.389110  1
  S  S58  1  0.333457  0.666395  0.389118  1
  S  S59  1  0.416668  0.791354  0.389258  1
  S  S60  1  0.500000  0.916431  0.389275  1
  S  S61  1  0.083243  0.041967  0.389161  1
  S  S62  1  0.166639  0.166916  0.389202  1
  S  S63  1  0.250053  0.291812  0.389198  1
  S  S64  1  0.333458  0.416625  0.389146  1
  S  S65  1  0.416762  0.541466  0.389134  1
  S  S66  1  0.500000  0.666360  0.389126  1
  S  S67  1  0.583332  0.791354  0.389258  1
  S  S68  1  0.666595  0.916610  0.389221  1
  S  S69  1  0.249850  0.041743  0.389275  1
  S  S70  1  0.333290  0.166709  0.389237  1
  S  S71  1  0.416688  0.291630  0.389188  1
  S  S72  1  0.500000  0.416540  0.389142  1
  S  S73  1  0.583238  0.541466  0.389134  1
  S  S74  1  0.666543  0.666395  0.389118  1
  S  S75  1  0.749829  0.791703  0.389103  1
  S  S76  1  0.833157  0.916741  0.389104  1
  S  S77  1  0.416630  0.041588  0.389271  1
  S  S78  1  0.500000  0.166614  0.389248  1
  S  S79  1  0.583312  0.291630  0.389188  1
  S  S80  1  0.666542  0.416625  0.389146  1
  S  S81  1  0.749761  0.541600  0.389110  1
  S  S82  1  0.833294  0.666609  0.389159  1
  S  S83  1  0.917360  0.791295  0.390861  1
  S  S84  1  0.000000  0.916739  0.389192  1
  S  S85  1  0.583370  0.041588  0.389271  1
  S  S86  1  0.666710  0.166709  0.389237  1
  S  S87  1  0.749947  0.291812  0.389198  1
  S  S88  1  0.833190  0.416844  0.389212  1
  S  S89  1  0.916679  0.541528  0.389068  1
  S  S90  1  0.000000  0.667347  0.390843  1
  S  S91  1  0.750150  0.041743  0.389275  1
  S  S92  1  0.833361  0.166916  0.389202  1
  S  S93  1  0.916617  0.291949  0.389203  1
  S  S94  1  0.000000  0.416747  0.389166  1
  S  S95  1  0.916757  0.041967  0.389161  1
  S  S96  1  0.000000  0.167040  0.389203  1
  S  S97  1  0.082640  0.791295  0.609139  1
  S  S98  1  0.166843  0.916741  0.610896  1
  S  S99  1  0.083321  0.541528  0.610932  1
  S  S100  1  0.166706  0.666609  0.610841  1
  S  S101  1  0.250171  0.791703  0.610897  1
  S  S102  1  0.333405  0.916610  0.610779  1
  S  S103  1  0.083383  0.291949  0.610798  1
  S  S104  1  0.166810  0.416844  0.610789  1
  S  S105  1  0.250239  0.541600  0.610890  1
  S  S106  1  0.333457  0.666395  0.610882  1
  S  S107  1  0.416668  0.791354  0.610742  1
  S  S108  1  0.500000  0.916431  0.610725  1
  S  S109  1  0.083243  0.041968  0.610838  1
  S  S110  1  0.166639  0.166916  0.610797  1
  S  S111  1  0.250053  0.291812  0.610802  1
  S  S112  1  0.333458  0.416625  0.610854  1
  S  S113  1  0.416762  0.541466  0.610866  1
  S  S114  1  0.500000  0.666360  0.610874  1
  S  S115  1  0.583332  0.791354  0.610742  1
  S  S116  1  0.666595  0.916610  0.610779  1
  S  S117  1  0.249850  0.041743  0.610724  1
  S  S118  1  0.333290  0.166709  0.610763  1
  S  S119  1  0.416688  0.291630  0.610812  1
  S  S120  1  0.500000  0.416540  0.610858  1
  S  S121  1  0.583238  0.541466  0.610866  1
  S  S122  1  0.666543  0.666395  0.610882  1
  S  S123  1  0.749829  0.791703  0.610897  1
  S  S124  1  0.833157  0.916741  0.610896  1
  S  S125  1  0.416630  0.041588  0.610729  1
  S  S126  1  0.500000  0.166614  0.610752  1
  S  S127  1  0.583312  0.291630  0.610812  1
  S  S128  1  0.666542  0.416625  0.610854  1
  S  S129  1  0.749761  0.541600  0.610890  1
  S  S130  1  0.833294  0.666609  0.610841  1
  S  S131  1  0.917360  0.791295  0.609139  1
  S  S132  1  -0.000000  0.916739  0.610808  1
  S  S133  1  0.583370  0.041588  0.610729  1
  S  S134  1  0.666710  0.166709  0.610763  1
  S  S135  1  0.749947  0.291812  0.610802  1
  S  S136  1  0.833190  0.416844  0.610789  1
  S  S137  1  0.916679  0.541528  0.610932  1
  S  S138  1  -0.000000  0.667347  0.609157  1
  S  S139  1  0.750150  0.041743  0.610724  1
  S  S140  1  0.833361  0.166916  0.610797  1
  S  S141  1  0.916617  0.291949  0.610798  1
  S  S142  1  0.000000  0.416747  0.610834  1
  S  S143  1  0.916757  0.041968  0.610838  1
  S  S144  1  -0.000000  0.167039  0.610796  1
