# 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  0.086276  0.877187  0.499995  1
  W  W2  1  0.001084  0.497835  0.500005  1
  W  W3  1  0.082293  0.615366  0.500001  1
  W  W4  1  0.159002  0.752336  0.499997  1
  W  W5  1  0.250848  0.876181  0.499994  1
  W  W6  1  -0.000356  0.248949  0.499998  1
  W  W7  1  0.083182  0.373170  0.500001  1
  W  W8  1  0.166710  0.497467  0.500004  1
  W  W9  1  0.248967  0.624251  0.500001  1
  W  W10  1  0.332190  0.750362  0.499995  1
  W  W11  1  0.416081  0.875762  0.499993  1
  W  W12  1  0.999092  -0.000368  0.499994  1
  W  W13  1  0.082970  0.124473  0.499996  1
  W  W14  1  0.166607  0.249142  0.500000  1
  W  W15  1  0.250300  0.373791  0.500004  1
  W  W16  1  0.333080  0.499636  0.500004  1
  W  W17  1  0.415630  0.625372  0.500000  1
  W  W18  1  0.498679  0.750645  0.499994  1
  W  W19  1  0.581812  0.875789  0.499994  1
  W  W20  1  0.167947  0.001776  0.499995  1
  W  W21  1  0.250546  0.125519  0.500000  1
  W  W22  1  0.333687  0.249981  0.500005  1
  W  W23  1  0.416815  0.375232  0.500005  1
  W  W24  1  0.500023  0.500463  0.500004  1
  W  W25  1  0.582910  0.625555  0.500000  1
  W  W26  1  0.664840  0.751090  0.499995  1
  W  W27  1  0.747503  0.876209  0.499995  1
  W  W28  1  0.333765  1.000687  0.499997  1
  W  W29  1  0.416799  0.125656  0.500004  1
  W  W30  1  0.500110  0.250574  0.500008  1
  W  W31  1  0.583472  0.375601  0.500009  1
  W  W32  1  0.667147  0.500642  0.500007  1
  W  W33  1  0.750820  0.625834  0.500002  1
  W  W34  1  0.831766  0.751175  0.499998  1
  W  W35  1  0.912487  0.874826  0.499995  1
  W  W36  1  0.499502  1.000723  0.499999  1
  W  W37  1  0.582779  0.125706  0.500004  1
  W  W38  1  0.666447  0.250487  0.500006  1
  W  W39  1  0.750232  0.375201  0.500006  1
  W  W40  1  0.834869  0.499933  0.500005  1
  W  W41  1  0.916481  0.625165  0.500002  1
  W  W42  1  0.665126  0.000736  0.499998  1
  W  W43  1  0.748958  0.125332  0.500001  1
  W  W44  1  0.832873  0.249526  0.500002  1
  W  W45  1  0.916297  0.373828  0.500004  1
  W  W46  1  0.831316  0.000580  0.499996  1
  W  W47  1  0.915859  0.124492  0.499996  1
  C  C48  1  0.050308  0.707419  0.499998  1
  S  S49  1  0.088136  0.800830  0.383079  1
  S  S50  1  0.169268  0.919315  0.389122  1
  S  S51  1  0.083647  0.536585  0.385605  1
  S  S52  1  0.165009  0.665151  0.389348  1
  S  S53  1  0.247320  0.791482  0.390982  1
  S  S54  1  0.333604  0.917382  0.388663  1
  S  S55  1  0.083090  0.290256  0.389128  1
  S  S56  1  0.166891  0.414481  0.389190  1
  S  S57  1  0.249560  0.540901  0.389511  1
  S  S58  1  0.331697  0.666861  0.389507  1
  S  S59  1  0.415218  0.792220  0.389313  1
  S  S60  1  0.499073  0.917425  0.389062  1
  S  S61  1  0.082780  0.041301  0.389276  1
  S  S62  1  0.166481  0.166089  0.389264  1
  S  S63  1  0.250081  0.290788  0.389189  1
  S  S64  1  0.333286  0.416372  0.389303  1
  S  S65  1  0.416272  0.541937  0.389510  1
  S  S66  1  0.499124  0.667131  0.389536  1
  S  S67  1  0.581740  0.792380  0.389118  1
  S  S68  1  0.664716  0.917551  0.388930  1
  S  S69  1  0.250942  0.042700  0.388961  1
  S  S70  1  0.333681  0.167050  0.389041  1
  S  S71  1  0.416847  0.292042  0.389254  1
  S  S72  1  0.500110  0.417210  0.389355  1
  S  S73  1  0.583516  0.542282  0.389471  1
  S  S74  1  0.666573  0.667246  0.389740  1
  S  S75  1  0.747977  0.792695  0.389529  1
  S  S76  1  0.830460  0.917706  0.388829  1
  S  S77  1  0.416661  0.042411  0.389096  1
  S  S78  1  0.499895  0.167407  0.389143  1
  S  S79  1  0.583372  0.292366  0.389267  1
  S  S80  1  0.667019  0.417317  0.389456  1
  S  S81  1  0.751101  0.542172  0.389832  1
  S  S82  1  0.833971  0.668154  0.389499  1
  S  S83  1  0.913205  0.793522  0.390296  1
  S  S84  1  0.998474  0.915507  0.391162  1
  S  S85  1  0.582448  0.042491  0.389040  1
  S  S86  1  0.666091  0.167251  0.389201  1
  S  S87  1  0.749932  0.291854  0.389329  1
  S  S88  1  0.833678  0.416692  0.389323  1
  S  S89  1  0.918300  0.541901  0.389063  1
  S  S90  1  0.003321  0.676117  0.402754  1
  S  S91  1  0.748503  0.042178  0.389108  1
  S  S92  1  0.832675  0.166294  0.389242  1
  S  S93  1  0.916296  0.290652  0.389234  1
  S  S94  1  0.999724  0.414756  0.389251  1
  S  S95  1  0.915716  0.041191  0.389357  1
  S  S96  1  0.999455  0.165775  0.389330  1
  S  S97  1  0.088137  0.800832  0.616910  1
  S  S98  1  0.169267  0.919315  0.610864  1
  S  S99  1  0.083647  0.536588  0.614403  1
  S  S100  1  0.165010  0.665154  0.610651  1
  S  S101  1  0.247320  0.791484  0.609008  1
  S  S102  1  0.333603  0.917381  0.611325  1
  S  S103  1  0.083089  0.290254  0.610878  1
  S  S104  1  0.166891  0.414481  0.610823  1
  S  S105  1  0.249558  0.540903  0.610499  1
  S  S106  1  0.331696  0.666864  0.610488  1
  S  S107  1  0.415219  0.792220  0.610678  1
  S  S108  1  0.499073  0.917423  0.610930  1
  S  S109  1  0.082779  0.041299  0.610712  1
  S  S110  1  0.166480  0.166086  0.610733  1
  S  S111  1  0.250080  0.290786  0.610818  1
  S  S112  1  0.333286  0.416373  0.610709  1
  S  S113  1  0.416272  0.541939  0.610498  1
  S  S114  1  0.499124  0.667134  0.610460  1
  S  S115  1  0.581740  0.792380  0.610874  1
  S  S116  1  0.664716  0.917550  0.611061  1
  S  S117  1  0.250941  0.042698  0.611028  1
  S  S118  1  0.333680  0.167047  0.610959  1
  S  S119  1  0.416845  0.292040  0.610757  1
  S  S120  1  0.500108  0.417212  0.610660  1
  S  S121  1  0.583514  0.542286  0.610537  1
  S  S122  1  0.666573  0.667250  0.610257  1
  S  S123  1  0.747977  0.792696  0.610462  1
  S  S124  1  0.830462  0.917704  0.611158  1
  S  S125  1  0.416660  0.042408  0.610899  1
  S  S126  1  0.499894  0.167402  0.610860  1
  S  S127  1  0.583372  0.292363  0.610747  1
  S  S128  1  0.667019  0.417318  0.610560  1
  S  S129  1  0.751101  0.542176  0.610176  1
  S  S130  1  0.833970  0.668158  0.610498  1
  S  S131  1  0.913204  0.793524  0.609694  1
  S  S132  1  0.998475  0.915508  0.608822  1
  S  S133  1  0.582449  0.042488  0.610955  1
  S  S134  1  0.666093  0.167247  0.610800  1
  S  S135  1  0.749933  0.291851  0.610682  1
  S  S136  1  0.833679  0.416693  0.610690  1
  S  S137  1  0.918301  0.541904  0.610946  1
  S  S138  1  0.003322  0.676119  0.597245  1
  S  S139  1  0.748505  0.042175  0.610885  1
  S  S140  1  0.832677  0.166290  0.610757  1
  S  S141  1  0.916298  0.290649  0.610774  1
  S  S142  1  0.999726  0.414755  0.610763  1
  S  S143  1  0.915717  0.041189  0.610629  1
  S  S144  1  0.999455  0.165772  0.610667  1
