# 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  0.084995  0.875628  0.499996  1
  W  W2  1  0.000000  0.497532  0.500003  1
  W  W3  1  0.083688  0.620199  0.500001  1
  W  W4  1  0.166863  0.752816  0.499996  1
  W  W5  1  0.251770  0.876388  0.499993  1
  W  W6  1  -0.000000  0.248952  0.500004  1
  W  W7  1  0.082563  0.373781  0.500003  1
  W  W8  1  0.166011  0.498739  0.500001  1
  W  W9  1  0.248417  0.625948  0.499998  1
  W  W10  1  0.334140  0.751188  0.499994  1
  W  W11  1  0.417015  0.876456  0.499994  1
  W  W12  1  0.000000  -0.001165  0.500001  1
  W  W13  1  0.083753  0.124575  0.500001  1
  W  W14  1  0.166807  0.249108  0.500000  1
  W  W15  1  0.250897  0.375130  0.500001  1
  W  W16  1  0.333072  0.500290  0.500000  1
  W  W17  1  0.416637  0.625880  0.499998  1
  W  W18  1  0.500000  0.750878  0.499997  1
  W  W19  1  0.582984  0.876457  0.500000  1
  W  W20  1  0.168150  0.000456  0.499995  1
  W  W21  1  0.250022  0.125469  0.499997  1
  W  W22  1  0.333472  0.250303  0.500000  1
  W  W23  1  0.415838  0.376154  0.500002  1
  W  W24  1  0.500000  0.500879  0.500002  1
  W  W25  1  0.583363  0.625880  0.500000  1
  W  W26  1  0.665860  0.751189  0.500000  1
  W  W27  1  0.748229  0.876388  0.500004  1
  W  W28  1  0.334118  0.000674  0.499993  1
  W  W29  1  0.417436  0.126122  0.499999  1
  W  W30  1  0.500000  0.250379  0.500003  1
  W  W31  1  0.584162  0.376154  0.500004  1
  W  W32  1  0.666928  0.500291  0.500004  1
  W  W33  1  0.751584  0.625948  0.500002  1
  W  W34  1  0.833141  0.752817  0.500001  1
  W  W35  1  0.915004  0.875628  0.500002  1
  W  W36  1  0.500000  0.000906  0.500000  1
  W  W37  1  0.582565  0.126122  0.500005  1
  W  W38  1  0.666528  0.250303  0.500007  1
  W  W39  1  0.749103  0.375130  0.500005  1
  W  W40  1  0.833988  0.498739  0.500004  1
  W  W41  1  0.916320  0.620202  0.500002  1
  W  W42  1  0.665882  0.000674  0.500006  1
  W  W43  1  0.749978  0.125469  0.500008  1
  W  W44  1  0.833193  0.249108  0.500008  1
  W  W45  1  0.917437  0.373781  0.500005  1
  W  W46  1  0.831849  0.000457  0.500005  1
  W  W47  1  0.916247  0.124575  0.500005  1
  C  C48  1  -0.000024  0.711502  0.499999  1
  S  S49  1  0.086580  0.794063  0.389332  1
  S  S50  1  0.168255  0.917605  0.389157  1
  S  S51  1  0.082952  0.538676  0.387748  1
  S  S52  1  0.164689  0.668428  0.390458  1
  S  S53  1  0.251192  0.793050  0.389474  1
  S  S54  1  0.334275  0.917859  0.388638  1
  S  S55  1  0.083390  0.290478  0.389314  1
  S  S56  1  0.166556  0.415433  0.389589  1
  S  S57  1  0.249231  0.542194  0.389877  1
  S  S58  1  0.332513  0.667276  0.389793  1
  S  S59  1  0.417068  0.792871  0.389366  1
  S  S60  1  0.500000  0.917895  0.388996  1
  S  S61  1  0.083393  0.040990  0.389657  1
  S  S62  1  0.166685  0.166248  0.389025  1
  S  S63  1  0.249994  0.291623  0.389576  1
  S  S64  1  0.333131  0.417451  0.388779  1
  S  S65  1  0.416436  0.542483  0.389548  1
  S  S66  1  0.500000  0.667561  0.389374  1
  S  S67  1  0.582932  0.792871  0.389365  1
  S  S68  1  0.665726  0.917860  0.388636  1
  S  S69  1  0.250877  0.042271  0.389194  1
  S  S70  1  0.333521  0.167129  0.389448  1
  S  S71  1  0.416765  0.292516  0.389672  1
  S  S72  1  0.500000  0.417442  0.389715  1
  S  S73  1  0.583564  0.542483  0.389546  1
  S  S74  1  0.667488  0.667277  0.389792  1
  S  S75  1  0.748810  0.793050  0.389472  1
  S  S76  1  0.831745  0.917605  0.389156  1
  S  S77  1  0.416971  0.042741  0.389335  1
  S  S78  1  0.500000  0.167680  0.388795  1
  S  S79  1  0.583235  0.292516  0.389670  1
  S  S80  1  0.666869  0.417451  0.388778  1
  S  S81  1  0.750770  0.542194  0.389875  1
  S  S82  1  0.835314  0.668429  0.390456  1
  S  S83  1  0.913420  0.794065  0.389329  1
  S  S84  1  -0.000000  0.915352  0.390094  1
  S  S85  1  0.583029  0.042742  0.389334  1
  S  S86  1  0.666479  0.167129  0.389446  1
  S  S87  1  0.750006  0.291622  0.389572  1
  S  S88  1  0.833444  0.415432  0.389585  1
  S  S89  1  0.917049  0.538677  0.387748  1
  S  S90  1  0.000003  0.665350  0.395082  1
  S  S91  1  0.749122  0.042272  0.389190  1
  S  S92  1  0.833315  0.166248  0.389023  1
  S  S93  1  0.916610  0.290478  0.389312  1
  S  S94  1  0.000001  0.414994  0.388331  1
  S  S95  1  0.916608  0.040990  0.389655  1
  S  S96  1  -0.000000  0.165730  0.389447  1
  S  S97  1  0.086581  0.794063  0.610669  1
  S  S98  1  0.168257  0.917604  0.610842  1
  S  S99  1  0.082951  0.538676  0.612254  1
  S  S100  1  0.164689  0.668429  0.609544  1
  S  S101  1  0.251191  0.793051  0.610528  1
  S  S102  1  0.334273  0.917859  0.611362  1
  S  S103  1  0.083390  0.290478  0.610688  1
  S  S104  1  0.166557  0.415432  0.610414  1
  S  S105  1  0.249232  0.542194  0.610125  1
  S  S106  1  0.332512  0.667277  0.610206  1
  S  S107  1  0.417068  0.792870  0.610636  1
  S  S108  1  0.500000  0.917895  0.611007  1
  S  S109  1  0.083393  0.040990  0.610343  1
  S  S110  1  0.166686  0.166247  0.610976  1
  S  S111  1  0.249994  0.291622  0.610426  1
  S  S112  1  0.333131  0.417451  0.611223  1
  S  S113  1  0.416437  0.542482  0.610453  1
  S  S114  1  0.500001  0.667561  0.610624  1
  S  S115  1  0.582932  0.792870  0.610634  1
  S  S116  1  0.665726  0.917860  0.611361  1
  S  S117  1  0.250877  0.042271  0.610807  1
  S  S118  1  0.333520  0.167128  0.610552  1
  S  S119  1  0.416765  0.292515  0.610328  1
  S  S120  1  0.500000  0.417442  0.610282  1
  S  S121  1  0.583564  0.542482  0.610451  1
  S  S122  1  0.667489  0.667278  0.610205  1
  S  S123  1  0.748809  0.793051  0.610524  1
  S  S124  1  0.831744  0.917606  0.610840  1
  S  S125  1  0.416971  0.042741  0.610664  1
  S  S126  1  0.500000  0.167681  0.611203  1
  S  S127  1  0.583235  0.292515  0.610326  1
  S  S128  1  0.666869  0.417451  0.611220  1
  S  S129  1  0.750769  0.542194  0.610122  1
  S  S130  1  0.835312  0.668430  0.609543  1
  S  S131  1  0.913419  0.794065  0.610669  1
  S  S132  1  0.000000  0.915351  0.609905  1
  S  S133  1  0.583029  0.042740  0.610663  1
  S  S134  1  0.666479  0.167129  0.610549  1
  S  S135  1  0.750006  0.291622  0.610422  1
  S  S136  1  0.833443  0.415432  0.610411  1
  S  S137  1  0.917048  0.538677  0.612249  1
  S  S138  1  0.000004  0.665349  0.604919  1
  S  S139  1  0.749122  0.042271  0.610805  1
  S  S140  1  0.833314  0.166248  0.610974  1
  S  S141  1  0.916609  0.290477  0.610686  1
  S  S142  1  -0.000000  0.414995  0.611670  1
  S  S143  1  0.916607  0.040990  0.610341  1
  S  S144  1  -0.000000  0.165730  0.610552  1
