# generated using pymatgen
data_W47CS96
_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   W47CS96
_chemical_formula_sum   'W47 C1 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
  W  W1  1  0.085195  0.875692  0.499998  1
  W  W2  1  0.000000  0.497469  0.499998  1
  W  W3  1  0.083451  0.620140  0.499997  1
  W  W4  1  0.167046  0.752978  0.499997  1
  W  W5  1  0.251753  0.876431  0.499998  1
  W  W6  1  -0.000000  0.248988  0.500000  1
  W  W7  1  0.082780  0.373484  0.500000  1
  W  W8  1  0.166195  0.498667  0.500000  1
  W  W9  1  0.248578  0.625732  0.499998  1
  W  W10  1  0.334164  0.751199  0.499996  1
  W  W11  1  0.417099  0.876460  0.499998  1
  W  W12  1  0.000000  -0.000915  0.499998  1
  W  W13  1  0.083581  0.124620  0.500001  1
  W  W14  1  0.166795  0.249267  0.500001  1
  W  W15  1  0.250609  0.374816  0.500002  1
  W  W16  1  0.333120  0.500317  0.499999  1
  W  W17  1  0.416566  0.625761  0.499996  1
  W  W18  1  0.500001  0.750947  0.499994  1
  W  W19  1  0.582902  0.876460  0.499997  1
  W  W20  1  0.168161  0.000707  0.499998  1
  W  W21  1  0.250296  0.125484  0.500001  1
  W  W22  1  0.333537  0.250348  0.500001  1
  W  W23  1  0.416495  0.375944  0.500000  1
  W  W24  1  0.500000  0.500820  0.499997  1
  W  W25  1  0.583436  0.625762  0.499995  1
  W  W26  1  0.665836  0.751199  0.499997  1
  W  W27  1  0.748248  0.876431  0.500000  1
  W  W28  1  0.334238  0.000883  0.500000  1
  W  W29  1  0.417258  0.125897  0.500002  1
  W  W30  1  0.500000  0.250591  0.500004  1
  W  W31  1  0.583506  0.375945  0.499999  1
  W  W32  1  0.666880  0.500317  0.499998  1
  W  W33  1  0.751423  0.625731  0.499999  1
  W  W34  1  0.832965  0.752980  0.500000  1
  W  W35  1  0.914805  0.875693  0.500000  1
  W  W36  1  0.500000  0.001001  0.500001  1
  W  W37  1  0.582742  0.125897  0.500003  1
  W  W38  1  0.666463  0.250348  0.500001  1
  W  W39  1  0.749391  0.374817  0.499998  1
  W  W40  1  0.833800  0.498667  0.500000  1
  W  W41  1  0.916570  0.620152  0.499999  1
  W  W42  1  0.665762  0.000883  0.499999  1
  W  W43  1  0.749704  0.125484  0.499999  1
  W  W44  1  0.833205  0.249268  0.500001  1
  W  W45  1  0.917221  0.373483  0.499999  1
  W  W46  1  0.831838  0.000707  0.500000  1
  W  W47  1  0.916418  0.124620  0.500000  1
  C  C48  1  -0.000080  0.711701  0.499995  1
  S  S49  1  0.086745  0.794222  0.389479  1
  S  S50  1  0.168347  0.917824  0.389143  1
  S  S51  1  0.083024  0.538578  0.387815  1
  S  S52  1  0.164695  0.668352  0.390641  1
  S  S53  1  0.251322  0.793117  0.389355  1
  S  S54  1  0.334277  0.917948  0.388693  1
  S  S55  1  0.083389  0.290390  0.389105  1
  S  S56  1  0.166551  0.415398  0.389475  1
  S  S57  1  0.249288  0.542066  0.389750  1
  S  S58  1  0.332526  0.667263  0.389748  1
  S  S59  1  0.417043  0.792882  0.389286  1
  S  S60  1  0.500000  0.917909  0.388939  1
  S  S61  1  0.083422  0.041138  0.389552  1
  S  S62  1  0.166732  0.166264  0.389081  1
  S  S63  1  0.250070  0.291505  0.389449  1
  S  S64  1  0.333265  0.417189  0.389056  1
  S  S65  1  0.416437  0.542429  0.389440  1
  S  S66  1  0.500001  0.667533  0.389395  1
  S  S67  1  0.582957  0.792882  0.389286  1
  S  S68  1  0.665723  0.917947  0.388692  1
  S  S69  1  0.250907  0.042355  0.389100  1
  S  S70  1  0.333654  0.167166  0.389356  1
  S  S71  1  0.416763  0.292462  0.389491  1
  S  S72  1  0.500000  0.417524  0.389331  1
  S  S73  1  0.583562  0.542429  0.389440  1
  S  S74  1  0.667475  0.667263  0.389747  1
  S  S75  1  0.748680  0.793116  0.389359  1
  S  S76  1  0.831654  0.917824  0.389141  1
  S  S77  1  0.417024  0.042705  0.389109  1
  S  S78  1  0.500000  0.167624  0.388980  1
  S  S79  1  0.583236  0.292462  0.389489  1
  S  S80  1  0.666734  0.417190  0.389053  1
  S  S81  1  0.750712  0.542066  0.389750  1
  S  S82  1  0.835311  0.668353  0.390639  1
  S  S83  1  0.913256  0.794226  0.389475  1
  S  S84  1  0.000001  0.915427  0.390201  1
  S  S85  1  0.582975  0.042705  0.389109  1
  S  S86  1  0.666346  0.167166  0.389352  1
  S  S87  1  0.749930  0.291505  0.389443  1
  S  S88  1  0.833450  0.415399  0.389473  1
  S  S89  1  0.916974  0.538585  0.387825  1
  S  S90  1  0.000011  0.665707  0.395350  1
  S  S91  1  0.749093  0.042354  0.389097  1
  S  S92  1  0.833269  0.166264  0.389077  1
  S  S93  1  0.916612  0.290390  0.389101  1
  S  S94  1  0.000001  0.414825  0.388482  1
  S  S95  1  0.916578  0.041138  0.389552  1
  S  S96  1  0.000000  0.165806  0.389284  1
  S  S97  1  0.086745  0.794221  0.610521  1
  S  S98  1  0.168346  0.917823  0.610863  1
  S  S99  1  0.083025  0.538579  0.612181  1
  S  S100  1  0.164695  0.668351  0.609357  1
  S  S101  1  0.251322  0.793116  0.610645  1
  S  S102  1  0.334276  0.917946  0.611315  1
  S  S103  1  0.083387  0.290391  0.610898  1
  S  S104  1  0.166550  0.415400  0.610526  1
  S  S105  1  0.249289  0.542065  0.610246  1
  S  S106  1  0.332527  0.667262  0.610251  1
  S  S107  1  0.417042  0.792881  0.610714  1
  S  S108  1  0.500000  0.917909  0.611071  1
  S  S109  1  0.083421  0.041139  0.610450  1
  S  S110  1  0.166730  0.166265  0.610925  1
  S  S111  1  0.250070  0.291505  0.610560  1
  S  S112  1  0.333267  0.417191  0.610944  1
  S  S113  1  0.416438  0.542429  0.610554  1
  S  S114  1  0.500000  0.667532  0.610603  1
  S  S115  1  0.582958  0.792880  0.610715  1
  S  S116  1  0.665724  0.917946  0.611314  1
  S  S117  1  0.250906  0.042354  0.610908  1
  S  S118  1  0.333654  0.167167  0.610654  1
  S  S119  1  0.416764  0.292464  0.610512  1
  S  S120  1  0.500000  0.417525  0.610664  1
  S  S121  1  0.583562  0.542429  0.610555  1
  S  S122  1  0.667475  0.667262  0.610250  1
  S  S123  1  0.748680  0.793116  0.610644  1
  S  S124  1  0.831654  0.917824  0.610862  1
  S  S125  1  0.417023  0.042705  0.610901  1
  S  S126  1  0.500000  0.167628  0.611030  1
  S  S127  1  0.583238  0.292464  0.610510  1
  S  S128  1  0.666735  0.417190  0.610941  1
  S  S129  1  0.750711  0.542066  0.610246  1
  S  S130  1  0.835311  0.668353  0.609358  1
  S  S131  1  0.913256  0.794225  0.610526  1
  S  S132  1  0.000000  0.915428  0.609799  1
  S  S133  1  0.582977  0.042705  0.610901  1
  S  S134  1  0.666348  0.167168  0.610650  1
  S  S135  1  0.749931  0.291506  0.610551  1
  S  S136  1  0.833450  0.415399  0.610523  1
  S  S137  1  0.916975  0.538584  0.612174  1
  S  S138  1  0.000012  0.665708  0.604644  1
  S  S139  1  0.749093  0.042355  0.610907  1
  S  S140  1  0.833270  0.166265  0.610922  1
  S  S141  1  0.916612  0.290391  0.610896  1
  S  S142  1  0.000000  0.414826  0.611516  1
  S  S143  1  0.916578  0.041140  0.610449  1
  S  S144  1  -0.000001  0.165806  0.610716  1
