# 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  0.083352  0.791434  0.375638  1
  W  W2  1  0.000372  0.750102  0.503977  1
  W  W3  1  0.083330  0.874645  0.503870  1
  W  W4  1  -0.000082  0.499808  0.500269  1
  W  W5  1  0.083323  0.624575  0.502063  1
  W  W6  1  0.166291  0.750103  0.503978  1
  W  W7  1  0.250316  0.875175  0.501917  1
  W  W8  1  -0.000028  0.249896  0.499347  1
  W  W9  1  0.083334  0.374879  0.499570  1
  W  W10  1  0.166746  0.499811  0.500265  1
  W  W11  1  0.249770  0.625008  0.500731  1
  W  W12  1  0.333133  0.750144  0.500547  1
  W  W13  1  0.416800  0.875051  0.500003  1
  W  W14  1  -0.000061  -0.000211  0.500730  1
  W  W15  1  0.083333  0.124859  0.499667  1
  W  W16  1  0.166692  0.249893  0.499348  1
  W  W17  1  0.250054  0.374896  0.499478  1
  W  W18  1  0.333308  0.500028  0.499542  1
  W  W19  1  0.416576  0.625067  0.499429  1
  W  W20  1  0.499941  0.750057  0.499141  1
  W  W21  1  0.583335  0.875077  0.499333  1
  W  W22  1  0.166734  -0.000207  0.500736  1
  W  W23  1  0.250019  0.124919  0.499568  1
  W  W24  1  0.333368  0.249980  0.499428  1
  W  W25  1  0.416688  0.375043  0.499412  1
  W  W26  1  0.499987  0.500070  0.499159  1
  W  W27  1  0.583333  0.625084  0.498920  1
  W  W28  1  0.666727  0.750061  0.499135  1
  W  W29  1  0.749869  0.875053  0.499992  1
  W  W30  1  0.333437  0.000121  0.500189  1
  W  W31  1  0.416734  0.125094  0.499648  1
  W  W32  1  0.500025  0.250081  0.499616  1
  W  W33  1  0.583331  0.375082  0.499398  1
  W  W34  1  0.666681  0.500071  0.499155  1
  W  W35  1  0.750085  0.625068  0.499426  1
  W  W36  1  0.833535  0.750145  0.500541  1
  W  W37  1  0.916354  0.875168  0.501909  1
  W  W38  1  0.500032  0.000086  0.499703  1
  W  W39  1  0.583334  0.125106  0.499717  1
  W  W40  1  0.666641  0.250082  0.499613  1
  W  W41  1  0.749974  0.375046  0.499416  1
  W  W42  1  0.833357  0.500028  0.499547  1
  W  W43  1  0.916889  0.625002  0.500735  1
  W  W44  1  0.666637  0.000088  0.499690  1
  W  W45  1  0.749937  0.125096  0.499633  1
  W  W46  1  0.833297  0.249983  0.499428  1
  W  W47  1  0.916611  0.374896  0.499479  1
  W  W48  1  0.833233  0.000122  0.500176  1
  W  W49  1  0.916649  0.124921  0.499557  1
  S  S50  1  0.166148  0.914810  0.391298  1
  S  S51  1  0.083330  0.541754  0.390207  1
  S  S52  1  0.164982  0.667885  0.391386  1
  S  S53  1  0.247756  0.792251  0.391266  1
  S  S54  1  0.333110  0.916635  0.389989  1
  S  S55  1  0.083333  0.291612  0.388650  1
  S  S56  1  0.166682  0.416735  0.388989  1
  S  S57  1  0.249664  0.541991  0.389377  1
  S  S58  1  0.332695  0.666909  0.389460  1
  S  S59  1  0.416053  0.791779  0.389067  1
  S  S60  1  0.499862  0.916769  0.388861  1
  S  S61  1  0.083336  0.041084  0.389596  1
  S  S62  1  0.166642  0.166434  0.388750  1
  S  S63  1  0.250049  0.291596  0.388630  1
  S  S64  1  0.333299  0.416730  0.388737  1
  S  S65  1  0.416471  0.541765  0.388611  1
  S  S66  1  0.499765  0.666739  0.388367  1
  S  S67  1  0.583332  0.791784  0.388418  1
  S  S68  1  0.666805  0.916771  0.388852  1
  S  S69  1  0.249793  0.041232  0.389340  1
  S  S70  1  0.333355  0.166571  0.388781  1
  S  S71  1  0.416729  0.291670  0.388754  1
  S  S72  1  0.499982  0.416660  0.388570  1
  S  S73  1  0.583334  0.541676  0.388304  1
  S  S74  1  0.666899  0.666744  0.388368  1
  S  S75  1  0.750617  0.791779  0.389059  1
  S  S76  1  0.833568  0.916632  0.389984  1
  S  S77  1  0.416604  0.041698  0.389070  1
  S  S78  1  0.500052  0.166740  0.388919  1
  S  S79  1  0.583333  0.291689  0.388814  1
  S  S80  1  0.666680  0.416661  0.388571  1
  S  S81  1  0.750199  0.541767  0.388610  1
  S  S82  1  0.833966  0.666908  0.389463  1
  S  S83  1  0.918912  0.792236  0.391261  1
  S  S84  1  0.000541  0.914799  0.391300  1
  S  S85  1  0.583332  0.041769  0.388973  1
  S  S86  1  0.666614  0.166742  0.388914  1
  S  S87  1  0.749937  0.291675  0.388755  1
  S  S88  1  0.833364  0.416732  0.388741  1
  S  S89  1  0.916998  0.541984  0.389380  1
  S  S90  1  0.001660  0.667867  0.391383  1
  S  S91  1  0.750067  0.041700  0.389055  1
  S  S92  1  0.833317  0.166575  0.388773  1
  S  S93  1  0.916614  0.291599  0.388630  1
  S  S94  1  -0.000014  0.416733  0.388991  1
  S  S95  1  0.916881  0.041228  0.389331  1
  S  S96  1  0.000026  0.166436  0.388749  1
  S  S97  1  0.083314  0.791629  0.615017  1
  S  S98  1  0.167357  0.917264  0.613296  1
  S  S99  1  0.083332  0.540658  0.611731  1
  S  S100  1  0.166974  0.665764  0.613344  1
  S  S101  1  0.251017  0.791839  0.613247  1
  S  S102  1  0.334253  0.917082  0.611550  1
  S  S103  1  0.083333  0.291478  0.610095  1
  S  S104  1  0.166783  0.416252  0.610500  1
  S  S105  1  0.250283  0.541419  0.610835  1
  S  S106  1  0.333529  0.666610  0.610782  1
  S  S107  1  0.417047  0.791573  0.610495  1
  S  S108  1  0.500296  0.916717  0.610417  1
  S  S109  1  0.083333  0.041773  0.610951  1
  S  S110  1  0.166686  0.166662  0.610231  1
  S  S111  1  0.250020  0.291542  0.610147  1
  S  S112  1  0.333394  0.416627  0.610206  1
  S  S113  1  0.416800  0.541698  0.610090  1
  S  S114  1  0.500113  0.666703  0.609821  1
  S  S115  1  0.583335  0.791629  0.609826  1
  S  S116  1  0.666382  0.916720  0.610404  1
  S  S117  1  0.250116  0.041920  0.610820  1
  S  S118  1  0.333331  0.166730  0.610267  1
  S  S119  1  0.416641  0.291743  0.610242  1
  S  S120  1  0.500021  0.416815  0.610067  1
  S  S121  1  0.583337  0.541815  0.609746  1
  S  S122  1  0.666554  0.666713  0.609815  1
  S  S123  1  0.749624  0.791581  0.610484  1
  S  S124  1  0.832420  0.917083  0.611530  1
  S  S125  1  0.416895  0.041911  0.610600  1
  S  S126  1  0.500019  0.166806  0.610456  1
  S  S127  1  0.583333  0.291827  0.610332  1
  S  S128  1  0.666640  0.416819  0.610065  1
  S  S129  1  0.749863  0.541699  0.610089  1
  S  S130  1  0.833127  0.666610  0.610775  1
  S  S131  1  0.915647  0.791832  0.613245  1
  S  S132  1  -0.000675  0.917261  0.613289  1
  S  S133  1  0.583338  0.041767  0.610461  1
  S  S134  1  0.666656  0.166804  0.610446  1
  S  S135  1  0.750022  0.291745  0.610243  1
  S  S136  1  0.833270  0.416627  0.610209  1
  S  S137  1  0.916380  0.541413  0.610842  1
  S  S138  1  -0.000318  0.665749  0.613353  1
  S  S139  1  0.749777  0.041911  0.610580  1
  S  S140  1  0.833336  0.166727  0.610261  1
  S  S141  1  0.916643  0.291545  0.610147  1
  S  S142  1  -0.000118  0.416247  0.610502  1
  S  S143  1  0.916559  0.041915  0.610803  1
  S  S144  1  -0.000022  0.166662  0.610226  1
