# 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  0.085952  0.875728  0.500004  1
  W  W2  1  0.001463  0.498580  0.499993  1
  W  W3  1  0.084017  0.616203  0.499993  1
  W  W4  1  0.161308  0.751203  0.499999  1
  W  W5  1  0.250358  0.875379  0.500003  1
  W  W6  1  0.999670  0.249620  0.499999  1
  W  W7  1  0.083532  0.373797  0.499997  1
  W  W8  1  0.167149  0.497712  0.499997  1
  W  W9  1  0.249869  0.623960  0.499998  1
  W  W10  1  0.331893  0.749945  0.500002  1
  W  W11  1  0.415911  0.875260  0.500003  1
  W  W12  1  0.999350  0.999797  0.500004  1
  W  W13  1  0.082856  0.124819  0.500003  1
  W  W14  1  0.166600  0.249499  0.500001  1
  W  W15  1  0.250508  0.373916  0.500000  1
  W  W16  1  0.333539  0.499385  0.500000  1
  W  W17  1  0.416146  0.624934  0.500002  1
  W  W18  1  0.498515  0.750181  0.500003  1
  W  W19  1  0.581675  0.875531  0.500002  1
  W  W20  1  0.167665  0.002051  0.500004  1
  W  W21  1  0.250363  0.125548  0.500003  1
  W  W22  1  0.333624  0.249925  0.500002  1
  W  W23  1  0.416954  0.374954  0.500001  1
  W  W24  1  0.500159  0.500142  0.500003  1
  W  W25  1  0.583147  0.625285  0.500003  1
  W  W26  1  0.664311  0.750519  0.500003  1
  W  W27  1  0.747063  0.876100  0.500002  1
  W  W28  1  0.333422  0.000424  0.500003  1
  W  W29  1  0.416642  0.125369  0.500002  1
  W  W30  1  0.500084  0.250350  0.500002  1
  W  W31  1  0.583585  0.375417  0.500001  1
  W  W32  1  0.667161  0.500516  0.500001  1
  W  W33  1  0.750530  0.626127  0.499999  1
  W  W34  1  0.831103  0.753080  0.500000  1
  W  W35  1  0.912541  0.875259  0.500004  1
  W  W36  1  0.499336  0.000439  0.500001  1
  W  W37  1  0.582840  0.125535  0.500001  1
  W  W38  1  0.666491  0.250499  0.500000  1
  W  W39  1  0.750196  0.375481  0.499999  1
  W  W40  1  0.834612  0.500550  0.499995  1
  W  W41  1  0.917179  0.624624  0.499991  1
  W  W42  1  0.665235  0.000738  0.500000  1
  W  W43  1  0.749132  0.125563  0.500000  1
  W  W44  1  0.832984  0.250033  0.500000  1
  W  W45  1  0.916456  0.374533  0.499997  1
  W  W46  1  0.831413  0.001201  0.500001  1
  W  W47  1  0.916048  0.125011  0.500001  1
  C  C48  1  0.049276  0.708278  0.499993  1
  S  S49  1  0.085728  0.799208  0.386704  1
  S  S50  1  0.168924  0.919327  0.389671  1
  S  S51  1  0.084314  0.537207  0.385829  1
  S  S52  1  0.166354  0.665115  0.389063  1
  S  S53  1  0.247700  0.791071  0.390075  1
  S  S54  1  0.333221  0.916908  0.389003  1
  S  S55  1  0.083181  0.290836  0.389119  1
  S  S56  1  0.167267  0.414793  0.389041  1
  S  S57  1  0.250181  0.540660  0.389357  1
  S  S58  1  0.332431  0.666475  0.389379  1
  S  S59  1  0.415111  0.791734  0.389319  1
  S  S60  1  0.498870  0.917097  0.389076  1
  S  S61  1  0.082856  0.041620  0.389210  1
  S  S62  1  0.166382  0.166411  0.389248  1
  S  S63  1  0.250137  0.290906  0.389127  1
  S  S64  1  0.333581  0.416166  0.389185  1
  S  S65  1  0.416637  0.541574  0.389317  1
  S  S66  1  0.499382  0.666719  0.389381  1
  S  S67  1  0.581327  0.792103  0.389130  1
  S  S68  1  0.664495  0.917531  0.388910  1
  S  S69  1  0.250822  0.042746  0.388927  1
  S  S70  1  0.333580  0.166948  0.389025  1
  S  S71  1  0.416853  0.291776  0.389172  1
  S  S72  1  0.500212  0.416872  0.389264  1
  S  S73  1  0.583554  0.541957  0.389370  1
  S  S74  1  0.666422  0.667061  0.389314  1
  S  S75  1  0.746576  0.792839  0.389119  1
  S  S76  1  0.830130  0.918226  0.389363  1
  S  S77  1  0.416458  0.042089  0.389106  1
  S  S78  1  0.499821  0.167115  0.389142  1
  S  S79  1  0.583367  0.292150  0.389213  1
  S  S80  1  0.666977  0.417243  0.389288  1
  S  S81  1  0.750847  0.542469  0.389696  1
  S  S82  1  0.834633  0.668199  0.390201  1
  S  S83  1  0.911025  0.794046  0.389852  1
  S  S84  1  0.997972  0.915659  0.391013  1
  S  S85  1  0.582380  0.042294  0.389081  1
  S  S86  1  0.666123  0.167261  0.389165  1
  S  S87  1  0.749919  0.292092  0.389293  1
  S  S88  1  0.833606  0.417142  0.389346  1
  S  S89  1  0.918488  0.541916  0.388861  1
  S  S90  1  0.004128  0.674901  0.401876  1
  S  S91  1  0.748490  0.042509  0.389024  1
  S  S92  1  0.832816  0.166764  0.389230  1
  S  S93  1  0.916346  0.291351  0.389198  1
  S  S94  1  1.000018  0.415359  0.389273  1
  S  S95  1  0.915938  0.041643  0.389426  1
  S  S96  1  0.999497  0.166423  0.389251  1
  S  S97  1  0.085731  0.799204  0.613299  1
  S  S98  1  0.168925  0.919327  0.610333  1
  S  S99  1  0.084312  0.537208  0.614166  1
  S  S100  1  0.166352  0.665114  0.610933  1
  S  S101  1  0.247700  0.791070  0.609926  1
  S  S102  1  0.333221  0.916908  0.610998  1
  S  S103  1  0.083180  0.290837  0.610880  1
  S  S104  1  0.167266  0.414794  0.610958  1
  S  S105  1  0.250179  0.540660  0.610642  1
  S  S106  1  0.332429  0.666475  0.610622  1
  S  S107  1  0.415110  0.791735  0.610684  1
  S  S108  1  0.498869  0.917099  0.610923  1
  S  S109  1  0.082858  0.041620  0.610795  1
  S  S110  1  0.166382  0.166412  0.610754  1
  S  S111  1  0.250137  0.290907  0.610874  1
  S  S112  1  0.333580  0.416167  0.610816  1
  S  S113  1  0.416636  0.541574  0.610686  1
  S  S114  1  0.499380  0.666720  0.610624  1
  S  S115  1  0.581327  0.792104  0.610876  1
  S  S116  1  0.664494  0.917533  0.611089  1
  S  S117  1  0.250823  0.042747  0.611075  1
  S  S118  1  0.333581  0.166947  0.610973  1
  S  S119  1  0.416853  0.291775  0.610827  1
  S  S120  1  0.500212  0.416870  0.610739  1
  S  S121  1  0.583555  0.541956  0.610635  1
  S  S122  1  0.666423  0.667061  0.610689  1
  S  S123  1  0.746578  0.792839  0.610883  1
  S  S124  1  0.830129  0.918227  0.610640  1
  S  S125  1  0.416459  0.042089  0.610890  1
  S  S126  1  0.499821  0.167114  0.610853  1
  S  S127  1  0.583366  0.292148  0.610786  1
  S  S128  1  0.666978  0.417242  0.610713  1
  S  S129  1  0.750849  0.542468  0.610303  1
  S  S130  1  0.834636  0.668198  0.609794  1
  S  S131  1  0.911023  0.794047  0.610151  1
  S  S132  1  0.997971  0.915658  0.608995  1
  S  S133  1  0.582380  0.042294  0.610913  1
  S  S134  1  0.666123  0.167260  0.610832  1
  S  S135  1  0.749919  0.292092  0.610706  1
  S  S136  1  0.833607  0.417143  0.610651  1
  S  S137  1  0.918488  0.541917  0.611130  1
  S  S138  1  0.004125  0.674910  0.598101  1
  S  S139  1  0.748488  0.042509  0.610973  1
  S  S140  1  0.832815  0.166764  0.610769  1
  S  S141  1  0.916346  0.291351  0.610801  1
  S  S142  1  1.000017  0.415360  0.610723  1
  S  S143  1  0.915937  0.041644  0.610577  1
  S  S144  1  0.999496  0.166424  0.610751  1
