# generated using pymatgen
data_OsW48S95
_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   OsW48S95
_chemical_formula_sum   'Os1 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
  Os  Os1  1  0.083333  0.791720  0.378604  1
  W  W2  1  0.000319  0.750230  0.504572  1
  W  W3  1  0.083333  0.874660  0.504687  1
  W  W4  1  -0.000142  0.499932  0.500072  1
  W  W5  1  0.083333  0.624527  0.502050  1
  W  W6  1  0.166348  0.750230  0.504572  1
  W  W7  1  0.250550  0.875243  0.502074  1
  W  W8  1  0.000072  0.249917  0.499251  1
  W  W9  1  0.083333  0.374960  0.499541  1
  W  W10  1  0.166809  0.499932  0.500072  1
  W  W11  1  0.249803  0.625121  0.500582  1
  W  W12  1  0.333224  0.750144  0.500535  1
  W  W13  1  0.416921  0.874871  0.499923  1
  W  W14  1  -0.000061  -0.000213  0.500600  1
  W  W15  1  0.083333  0.124738  0.499444  1
  W  W16  1  0.166595  0.249918  0.499250  1
  W  W17  1  0.249993  0.375016  0.499442  1
  W  W18  1  0.333303  0.500196  0.499453  1
  W  W19  1  0.416507  0.625193  0.499384  1
  W  W20  1  0.500022  0.749990  0.499144  1
  W  W21  1  0.583333  0.874818  0.499337  1
  W  W22  1  0.166727  -0.000213  0.500600  1
  W  W23  1  0.249876  0.124888  0.499404  1
  W  W24  1  0.333216  0.249967  0.499412  1
  W  W25  1  0.416566  0.375181  0.499480  1
  W  W26  1  0.500000  0.500254  0.499245  1
  W  W27  1  0.583333  0.625161  0.498960  1
  W  W28  1  0.666644  0.749990  0.499144  1
  W  W29  1  0.749746  0.874871  0.499923  1
  W  W30  1  0.333363  0.000070  0.500076  1
  W  W31  1  0.416603  0.124981  0.499616  1
  W  W32  1  0.499954  0.250050  0.499689  1
  W  W33  1  0.583333  0.375245  0.499569  1
  W  W34  1  0.666667  0.500254  0.499245  1
  W  W35  1  0.750160  0.625193  0.499384  1
  W  W36  1  0.833443  0.750144  0.500535  1
  W  W37  1  0.916116  0.875243  0.502074  1
  W  W38  1  0.499996  -0.000106  0.499702  1
  W  W39  1  0.583333  0.124891  0.499748  1
  W  W40  1  0.666713  0.250050  0.499688  1
  W  W41  1  0.750101  0.375181  0.499480  1
  W  W42  1  0.833363  0.500196  0.499453  1
  W  W43  1  0.916864  0.625121  0.500582  1
  W  W44  1  0.666670  -0.000106  0.499702  1
  W  W45  1  0.750063  0.124981  0.499616  1
  W  W46  1  0.833451  0.249967  0.499412  1
  W  W47  1  0.916674  0.375016  0.499442  1
  W  W48  1  0.833304  0.000070  0.500076  1
  W  W49  1  0.916791  0.124888  0.499404  1
  S  S50  1  0.166625  0.915094  0.391126  1
  S  S51  1  0.083333  0.541742  0.389992  1
  S  S52  1  0.165196  0.667487  0.391085  1
  S  S53  1  0.248565  0.792364  0.391095  1
  S  S54  1  0.333305  0.916557  0.389934  1
  S  S55  1  0.083333  0.291674  0.388568  1
  S  S56  1  0.166632  0.416800  0.388891  1
  S  S57  1  0.249670  0.542083  0.389167  1
  S  S58  1  0.332806  0.666951  0.389171  1
  S  S59  1  0.416201  0.791654  0.388934  1
  S  S60  1  0.499944  0.916555  0.388771  1
  S  S61  1  0.083333  0.041029  0.389222  1
  S  S62  1  0.166582  0.166398  0.388565  1
  S  S63  1  0.249940  0.291648  0.388665  1
  S  S64  1  0.333218  0.416845  0.388754  1
  S  S65  1  0.416458  0.541900  0.388570  1
  S  S66  1  0.499777  0.666739  0.388267  1
  S  S67  1  0.583333  0.791632  0.388236  1
  S  S68  1  0.666722  0.916555  0.388771  1
  S  S69  1  0.249790  0.041164  0.389119  1
  S  S70  1  0.333252  0.166496  0.388764  1
  S  S71  1  0.416638  0.291710  0.388987  1
  S  S72  1  0.499947  0.416810  0.388843  1
  S  S73  1  0.583334  0.541808  0.388346  1
  S  S74  1  0.666890  0.666739  0.388267  1
  S  S75  1  0.750466  0.791654  0.388934  1
  S  S76  1  0.833362  0.916557  0.389934  1
  S  S77  1  0.416589  0.041514  0.388996  1
  S  S78  1  0.500000  0.166588  0.389098  1
  S  S79  1  0.583333  0.291735  0.389185  1
  S  S80  1  0.666720  0.416809  0.388844  1
  S  S81  1  0.750209  0.541899  0.388570  1
  S  S82  1  0.833861  0.666951  0.389171  1
  S  S83  1  0.918102  0.792364  0.391095  1
  S  S84  1  0.000042  0.915094  0.391126  1
  S  S85  1  0.583333  0.041512  0.388995  1
  S  S86  1  0.666667  0.166588  0.389097  1
  S  S87  1  0.750029  0.291710  0.388987  1
  S  S88  1  0.833449  0.416845  0.388754  1
  S  S89  1  0.916997  0.542083  0.389167  1
  S  S90  1  0.001471  0.667487  0.391085  1
  S  S91  1  0.750078  0.041514  0.388995  1
  S  S92  1  0.833414  0.166495  0.388763  1
  S  S93  1  0.916727  0.291649  0.388665  1
  S  S94  1  0.000035  0.416800  0.388891  1
  S  S95  1  0.916877  0.041164  0.389119  1
  S  S96  1  0.000085  0.166398  0.388566  1
  S  S97  1  0.083333  0.791654  0.616587  1
  S  S98  1  0.167750  0.917309  0.613189  1
  S  S99  1  0.083333  0.540522  0.611510  1
  S  S100  1  0.166845  0.665582  0.613144  1
  S  S101  1  0.251234  0.792071  0.613166  1
  S  S102  1  0.334593  0.917116  0.611500  1
  S  S103  1  0.083333  0.291497  0.610050  1
  S  S104  1  0.166729  0.416385  0.610446  1
  S  S105  1  0.250259  0.541488  0.610810  1
  S  S106  1  0.333502  0.666641  0.610833  1
  S  S107  1  0.417185  0.791488  0.610634  1
  S  S108  1  0.500357  0.916495  0.610478  1
  S  S109  1  0.083333  0.041707  0.610891  1
  S  S110  1  0.166582  0.166563  0.610096  1
  S  S111  1  0.249844  0.291585  0.610017  1
  S  S112  1  0.333246  0.416805  0.610163  1
  S  S113  1  0.416680  0.541864  0.610123  1
  S  S114  1  0.500082  0.666720  0.609930  1
  S  S115  1  0.583333  0.791473  0.610060  1
  S  S116  1  0.666309  0.916495  0.610478  1
  S  S117  1  0.250108  0.041899  0.610793  1
  S  S118  1  0.333136  0.166613  0.610155  1
  S  S119  1  0.416472  0.291763  0.610108  1
  S  S120  1  0.499912  0.416982  0.610059  1
  S  S121  1  0.583333  0.541976  0.609867  1
  S  S122  1  0.666585  0.666720  0.609930  1
  S  S123  1  0.749481  0.791488  0.610634  1
  S  S124  1  0.832073  0.917116  0.611500  1
  S  S125  1  0.416849  0.041737  0.610571  1
  S  S126  1  0.499922  0.166625  0.610292  1
  S  S127  1  0.583333  0.291823  0.610194  1
  S  S128  1  0.666755  0.416982  0.610059  1
  S  S129  1  0.749986  0.541864  0.610123  1
  S  S130  1  0.833164  0.666641  0.610833  1
  S  S131  1  0.915433  0.792071  0.613166  1
  S  S132  1  -0.001083  0.917309  0.613189  1
  S  S133  1  0.583333  0.041502  0.610431  1
  S  S134  1  0.666745  0.166625  0.610292  1
  S  S135  1  0.750194  0.291763  0.610108  1
  S  S136  1  0.833421  0.416805  0.610163  1
  S  S137  1  0.916407  0.541488  0.610810  1
  S  S138  1  -0.000178  0.665582  0.613144  1
  S  S139  1  0.749817  0.041737  0.610571  1
  S  S140  1  0.833530  0.166613  0.610155  1
  S  S141  1  0.916822  0.291585  0.610018  1
  S  S142  1  -0.000062  0.416385  0.610446  1
  S  S143  1  0.916559  0.041899  0.610793  1
  S  S144  1  0.000085  0.166563  0.610096  1
