# 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  0.084780  0.878240  0.500010  1
  W  W2  1  0.000874  0.497189  0.499995  1
  W  W3  1  0.081782  0.614633  0.500007  1
  W  W4  1  0.156971  0.752622  0.500008  1
  W  W5  1  0.250946  0.876495  0.500002  1
  W  W6  1  -0.000327  0.248908  0.499989  1
  W  W7  1  0.082669  0.373161  0.499991  1
  W  W8  1  0.166594  0.497346  0.500002  1
  W  W9  1  0.248319  0.624343  0.500008  1
  W  W10  1  0.332035  0.750726  0.500004  1
  W  W11  1  0.415953  0.876257  0.500000  1
  W  W12  1  0.999166  0.999959  0.500007  1
  W  W13  1  0.083734  0.124913  0.499990  1
  W  W14  1  0.167558  0.249068  0.499990  1
  W  W15  1  0.251414  0.373513  0.499994  1
  W  W16  1  0.332733  0.499018  0.500003  1
  W  W17  1  0.415398  0.625975  0.500005  1
  W  W18  1  0.498617  0.750686  0.500001  1
  W  W19  1  0.582092  0.876312  0.500006  1
  W  W20  1  0.167768  0.001149  0.499995  1
  W  W21  1  0.250629  0.124985  0.499988  1
  W  W22  1  0.334370  0.249958  0.499991  1
  W  W23  1  0.415885  0.377423  0.499996  1
  W  W24  1  0.499892  0.501064  0.500000  1
  W  W25  1  0.582656  0.626025  0.500000  1
  W  W26  1  0.665293  0.751311  0.500005  1
  W  W27  1  0.747783  0.876321  0.500013  1
  W  W28  1  0.332898  0.000121  0.499996  1
  W  W29  1  0.422143  0.129136  0.499996  1
  W  W30  1  0.499692  0.241484  0.499995  1
  W  W31  1  0.584098  0.377800  0.499997  1
  W  W32  1  0.667329  0.499951  0.499996  1
  W  W33  1  0.751323  0.625888  0.500001  1
  W  W34  1  0.832783  0.751362  0.500011  1
  W  W35  1  0.914511  0.875776  0.500017  1
  W  W36  1  0.499618  0.001012  0.500000  1
  W  W37  1  0.577489  0.128976  0.499998  1
  W  W38  1  0.665546  0.250311  0.500000  1
  W  W39  1  0.749426  0.375133  0.499994  1
  W  W40  1  0.834976  0.499545  0.499993  1
  W  W41  1  0.916648  0.623931  0.500003  1
  W  W42  1  0.666250  0.000344  0.500008  1
  W  W43  1  0.749202  0.124634  0.500006  1
  W  W44  1  0.831981  0.249450  0.499998  1
  W  W45  1  0.916325  0.373885  0.499991  1
  W  W46  1  0.831579  0.000145  0.500011  1
  W  W47  1  0.915305  0.124796  0.500002  1
  C  C48  1  0.050354  0.706329  0.500009  1
  S  S49  1  0.087613  0.800558  0.381234  1
  S  S50  1  0.168586  0.918688  0.388856  1
  S  S51  1  0.083498  0.536010  0.385352  1
  S  S52  1  0.164283  0.665139  0.389204  1
  S  S53  1  0.246476  0.791609  0.391603  1
  S  S54  1  0.333609  0.917476  0.387948  1
  S  S55  1  0.083450  0.290133  0.389311  1
  S  S56  1  0.167129  0.414003  0.389596  1
  S  S57  1  0.249394  0.540862  0.389663  1
  S  S58  1  0.331096  0.667146  0.389629  1
  S  S59  1  0.415186  0.792616  0.389386  1
  S  S60  1  0.499157  0.917981  0.389092  1
  S  S61  1  0.083023  0.041614  0.389294  1
  S  S62  1  0.167361  0.166227  0.389088  1
  S  S63  1  0.251153  0.290492  0.388856  1
  S  S64  1  0.332878  0.416544  0.387707  1
  S  S65  1  0.416003  0.542382  0.389538  1
  S  S66  1  0.498951  0.667394  0.389434  1
  S  S67  1  0.581937  0.792688  0.389421  1
  S  S68  1  0.665011  0.917637  0.388494  1
  S  S69  1  0.250697  0.042360  0.388993  1
  S  S70  1  0.334496  0.166982  0.388892  1
  S  S71  1  0.418839  0.292049  0.390613  1
  S  S72  1  0.499944  0.417898  0.389805  1
  S  S73  1  0.583599  0.542659  0.389555  1
  S  S74  1  0.666860  0.667338  0.390004  1
  S  S75  1  0.748797  0.792785  0.389823  1
  S  S76  1  0.831466  0.917250  0.388869  1
  S  S77  1  0.416645  0.043619  0.390252  1
  S  S78  1  0.499888  0.165728  0.377119  1
  S  S79  1  0.581015  0.292241  0.390962  1
  S  S80  1  0.667302  0.417353  0.388049  1
  S  S81  1  0.751130  0.542042  0.390026  1
  S  S82  1  0.834515  0.668196  0.389807  1
  S  S83  1  0.914696  0.792997  0.390018  1
  S  S84  1  0.998799  0.916667  0.390421  1
  S  S85  1  0.582645  0.043666  0.390146  1
  S  S86  1  0.665353  0.167023  0.389243  1
  S  S87  1  0.748748  0.291600  0.389234  1
  S  S88  1  0.833370  0.416264  0.389292  1
  S  S89  1  0.918235  0.541098  0.388475  1
  S  S90  1  0.002932  0.675797  0.402882  1
  S  S91  1  0.748929  0.041836  0.388953  1
  S  S92  1  0.832073  0.166422  0.389076  1
  S  S93  1  0.915938  0.290498  0.389456  1
  S  S94  1  0.999532  0.414439  0.388926  1
  S  S95  1  0.915700  0.041434  0.389349  1
  S  S96  1  0.999533  0.165767  0.389603  1
  S  S97  1  0.087617  0.800558  0.618788  1
  S  S98  1  0.168590  0.918691  0.611159  1
  S  S99  1  0.083495  0.536004  0.614646  1
  S  S100  1  0.164283  0.665136  0.610809  1
  S  S101  1  0.246480  0.791611  0.608409  1
  S  S102  1  0.333612  0.917478  0.612055  1
  S  S103  1  0.083449  0.290135  0.610673  1
  S  S104  1  0.167130  0.413999  0.610395  1
  S  S105  1  0.249394  0.540859  0.610337  1
  S  S106  1  0.331098  0.667146  0.610375  1
  S  S107  1  0.415186  0.792617  0.610616  1
  S  S108  1  0.499155  0.917984  0.610907  1
  S  S109  1  0.083027  0.041621  0.610713  1
  S  S110  1  0.167363  0.166230  0.610902  1
  S  S111  1  0.251153  0.290491  0.611130  1
  S  S112  1  0.332877  0.416540  0.612283  1
  S  S113  1  0.416004  0.542381  0.610461  1
  S  S114  1  0.498952  0.667393  0.610567  1
  S  S115  1  0.581935  0.792688  0.610585  1
  S  S116  1  0.665004  0.917641  0.611519  1
  S  S117  1  0.250699  0.042364  0.611007  1
  S  S118  1  0.334496  0.166984  0.611099  1
  S  S119  1  0.418838  0.292048  0.609375  1
  S  S120  1  0.499944  0.417896  0.610186  1
  S  S121  1  0.583601  0.542656  0.610441  1
  S  S122  1  0.666859  0.667336  0.610000  1
  S  S123  1  0.748793  0.792785  0.610197  1
  S  S124  1  0.831461  0.917255  0.611152  1
  S  S125  1  0.416647  0.043620  0.609741  1
  S  S126  1  0.499887  0.165729  0.622870  1
  S  S127  1  0.581016  0.292241  0.609026  1
  S  S128  1  0.667305  0.417349  0.611937  1
  S  S129  1  0.751131  0.542036  0.609966  1
  S  S130  1  0.834514  0.668188  0.610207  1
  S  S131  1  0.914695  0.792996  0.610010  1
  S  S132  1  0.998801  0.916671  0.609607  1
  S  S133  1  0.582642  0.043669  0.609849  1
  S  S134  1  0.665352  0.167025  0.610746  1
  S  S135  1  0.748749  0.291602  0.610748  1
  S  S136  1  0.833370  0.416262  0.610688  1
  S  S137  1  0.918234  0.541091  0.611519  1
  S  S138  1  0.002931  0.675793  0.597134  1
  S  S139  1  0.748926  0.041841  0.611049  1
  S  S140  1  0.832073  0.166425  0.610915  1
  S  S141  1  0.915940  0.290500  0.610523  1
  S  S142  1  0.999530  0.414437  0.611058  1
  S  S143  1  0.915699  0.041441  0.610659  1
  S  S144  1  0.999537  0.165772  0.610386  1
