# generated using pymatgen
data_W48CS95
_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   W48CS95
_chemical_formula_sum   'W48 C1 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
  W  W1  1  0.004913  0.752419  0.503935  1
  W  W2  1  0.083333  0.870007  0.503991  1
  W  W3  1  0.000215  0.500149  0.499720  1
  W  W4  1  0.083333  0.625435  0.501610  1
  W  W5  1  0.161755  0.752419  0.503936  1
  W  W6  1  0.249487  0.874753  0.501291  1
  W  W7  1  -0.000020  0.249702  0.498871  1
  W  W8  1  0.083333  0.374816  0.498921  1
  W  W9  1  0.166452  0.500149  0.499720  1
  W  W10  1  0.250165  0.625034  0.500648  1
  W  W11  1  0.333362  0.749939  0.500251  1
  W  W12  1  0.416330  0.875151  0.499131  1
  W  W13  1  0.000131  0.000033  0.500767  1
  W  W14  1  0.083333  0.124729  0.499510  1
  W  W15  1  0.166687  0.249702  0.498871  1
  W  W16  1  0.249872  0.374914  0.499015  1
  W  W17  1  0.332903  0.500198  0.499291  1
  W  W18  1  0.416590  0.625210  0.499201  1
  W  W19  1  0.499782  0.750441  0.498564  1
  W  W20  1  0.583333  0.875261  0.498416  1
  W  W21  1  0.166536  0.000033  0.500767  1
  W  W22  1  0.250007  0.124493  0.499277  1
  W  W23  1  0.333275  0.249836  0.499008  1
  W  W24  1  0.416542  0.375043  0.499063  1
  W  W25  1  0.499893  0.500157  0.498978  1
  W  W26  1  0.583333  0.625363  0.498623  1
  W  W27  1  0.666884  0.750441  0.498564  1
  W  W28  1  0.750336  0.875152  0.499131  1
  W  W29  1  0.333171  -0.000281  0.499534  1
  W  W30  1  0.416626  0.124893  0.499026  1
  W  W31  1  0.499963  0.250008  0.499041  1
  W  W32  1  0.583333  0.375079  0.499046  1
  W  W33  1  0.666774  0.500157  0.498978  1
  W  W34  1  0.750077  0.625210  0.499200  1
  W  W35  1  0.833306  0.749939  0.500250  1
  W  W36  1  0.917180  0.874753  0.501291  1
  W  W37  1  0.499953  0.000086  0.498767  1
  W  W38  1  0.583333  0.125035  0.498945  1
  W  W39  1  0.666704  0.250008  0.499041  1
  W  W40  1  0.750124  0.375043  0.499063  1
  W  W41  1  0.833763  0.500198  0.499290  1
  W  W42  1  0.916501  0.625033  0.500646  1
  W  W43  1  0.666714  0.000086  0.498767  1
  W  W44  1  0.750041  0.124893  0.499026  1
  W  W45  1  0.833392  0.249836  0.499008  1
  W  W46  1  0.916794  0.374915  0.499015  1
  W  W47  1  0.833496  -0.000281  0.499534  1
  W  W48  1  0.916660  0.124493  0.499277  1
  C  C49  1  0.083335  0.791620  0.428440  1
  S  S50  1  0.164470  0.914816  0.391415  1
  S  S51  1  0.083333  0.542831  0.389544  1
  S  S52  1  0.165812  0.669086  0.391469  1
  S  S53  1  0.246940  0.791009  0.391230  1
  S  S54  1  0.332009  0.916149  0.389117  1
  S  S55  1  0.083333  0.291421  0.388162  1
  S  S56  1  0.166539  0.416953  0.388516  1
  S  S57  1  0.249376  0.542329  0.388824  1
  S  S58  1  0.332591  0.666991  0.389440  1
  S  S59  1  0.415666  0.791853  0.388268  1
  S  S60  1  0.499573  0.916766  0.388024  1
  S  S61  1  0.083333  0.040876  0.389762  1
  S  S62  1  0.166611  0.166134  0.388452  1
  S  S63  1  0.249967  0.291533  0.388274  1
  S  S64  1  0.333104  0.416891  0.388485  1
  S  S65  1  0.416332  0.541891  0.388474  1
  S  S66  1  0.499713  0.666916  0.388044  1
  S  S67  1  0.583334  0.791915  0.387756  1
  S  S68  1  0.667093  0.916766  0.388024  1
  S  S69  1  0.249491  0.040809  0.388783  1
  S  S70  1  0.333127  0.166340  0.388421  1
  S  S71  1  0.416561  0.291664  0.388395  1
  S  S72  1  0.499900  0.416772  0.388409  1
  S  S73  1  0.583333  0.541832  0.388287  1
  S  S74  1  0.666954  0.666916  0.388044  1
  S  S75  1  0.751001  0.791852  0.388267  1
  S  S76  1  0.834659  0.916149  0.389118  1
  S  S77  1  0.416255  0.041459  0.388386  1
  S  S78  1  0.499915  0.166646  0.388339  1
  S  S79  1  0.583333  0.291708  0.388390  1
  S  S80  1  0.666766  0.416772  0.388409  1
  S  S81  1  0.750334  0.541891  0.388474  1
  S  S82  1  0.834075  0.666990  0.389438  1
  S  S83  1  0.919727  0.791010  0.391230  1
  S  S84  1  0.002197  0.914816  0.391415  1
  S  S85  1  0.583334  0.041750  0.388098  1
  S  S86  1  0.666751  0.166646  0.388339  1
  S  S87  1  0.750106  0.291664  0.388395  1
  S  S88  1  0.833562  0.416891  0.388484  1
  S  S89  1  0.917291  0.542328  0.388823  1
  S  S90  1  0.000855  0.669087  0.391469  1
  S  S91  1  0.750412  0.041459  0.388386  1
  S  S92  1  0.833540  0.166340  0.388422  1
  S  S93  1  0.916699  0.291533  0.388275  1
  S  S94  1  0.000128  0.416952  0.388516  1
  S  S95  1  0.917176  0.040809  0.388783  1
  S  S96  1  0.000054  0.166134  0.388451  1
  S  S97  1  0.083333  0.791577  0.626561  1
  S  S98  1  0.166576  0.916698  0.612461  1
  S  S99  1  0.083333  0.541564  0.611133  1
  S  S100  1  0.166943  0.666694  0.612489  1
  S  S101  1  0.250187  0.791483  0.612231  1
  S  S102  1  0.333402  0.916608  0.610765  1
  S  S103  1  0.083333  0.291373  0.609467  1
  S  S104  1  0.166536  0.416421  0.609807  1
  S  S105  1  0.249802  0.541484  0.610784  1
  S  S106  1  0.333758  0.666669  0.610577  1
  S  S107  1  0.416899  0.791992  0.610066  1
  S  S108  1  0.500065  0.916771  0.609345  1
  S  S109  1  0.083333  0.041885  0.610983  1
  S  S110  1  0.166767  0.166524  0.609852  1
  S  S111  1  0.249897  0.291492  0.609603  1
  S  S112  1  0.333151  0.416683  0.609729  1
  S  S113  1  0.416605  0.541800  0.609749  1
  S  S114  1  0.500128  0.667090  0.609362  1
  S  S115  1  0.583333  0.791986  0.609086  1
  S  S116  1  0.666601  0.916771  0.609345  1
  S  S117  1  0.250324  0.041525  0.610789  1
  S  S118  1  0.333307  0.166487  0.609759  1
  S  S119  1  0.416568  0.291639  0.609702  1
  S  S120  1  0.499939  0.416810  0.609667  1
  S  S121  1  0.583333  0.542026  0.609406  1
  S  S122  1  0.666539  0.667090  0.609362  1
  S  S123  1  0.749768  0.791992  0.610065  1
  S  S124  1  0.833264  0.916608  0.610765  1
  S  S125  1  0.416767  0.041592  0.609760  1
  S  S126  1  0.499975  0.166637  0.609691  1
  S  S127  1  0.583333  0.291711  0.609695  1
  S  S128  1  0.666728  0.416810  0.609667  1
  S  S129  1  0.750061  0.541800  0.609749  1
  S  S130  1  0.832909  0.666669  0.610576  1
  S  S131  1  0.916479  0.791483  0.612230  1
  S  S132  1  0.000090  0.916699  0.612462  1
  S  S133  1  0.583333  0.041657  0.609514  1
  S  S134  1  0.666692  0.166637  0.609691  1
  S  S135  1  0.750099  0.291639  0.609702  1
  S  S136  1  0.833514  0.416684  0.609729  1
  S  S137  1  0.916864  0.541484  0.610783  1
  S  S138  1  -0.000276  0.666693  0.612487  1
  S  S139  1  0.749900  0.041592  0.609760  1
  S  S140  1  0.833360  0.166487  0.609759  1
  S  S141  1  0.916770  0.291492  0.609603  1
  S  S142  1  0.000130  0.416421  0.609807  1
  S  S143  1  0.916343  0.041525  0.610789  1
  S  S144  1  -0.000100  0.166524  0.609852  1
