# generated using pymatgen
data_VW47S96
_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   VW47S96
_chemical_formula_sum   'V1 W47 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
  V  V1  1  -0.000000  0.750054  0.500000  1
  W  W2  1  0.083669  0.875022  0.500000  1
  W  W3  1  -0.000000  0.499657  0.500000  1
  W  W4  1  0.083171  0.624707  0.500000  1
  W  W5  1  0.166866  0.750249  0.500000  1
  W  W6  1  0.250312  0.875186  0.500000  1
  W  W7  1  -0.000000  0.249916  0.500000  1
  W  W8  1  0.083365  0.374803  0.500000  1
  W  W9  1  0.166658  0.499796  0.500000  1
  W  W10  1  0.249767  0.625112  0.500000  1
  W  W11  1  0.333490  0.750111  0.500000  1
  W  W12  1  0.416791  0.875105  0.500000  1
  W  W13  1  -0.000000  -0.000210  0.500000  1
  W  W14  1  0.083358  0.124975  0.500000  1
  W  W15  1  0.166699  0.249945  0.500000  1
  W  W16  1  0.250021  0.374917  0.500000  1
  W  W17  1  0.333308  0.499978  0.500000  1
  W  W18  1  0.416661  0.625027  0.500000  1
  W  W19  1  0.500000  0.750067  0.500000  1
  W  W20  1  0.583209  0.875105  0.500000  1
  W  W21  1  0.166868  0.000096  0.500000  1
  W  W22  1  0.250070  0.125048  0.500000  1
  W  W23  1  0.333360  0.249997  0.500000  1
  W  W24  1  0.416672  0.374989  0.500000  1
  W  W25  1  0.500000  0.500000  0.500000  1
  W  W26  1  0.583339  0.625027  0.500000  1
  W  W27  1  0.666510  0.750111  0.500000  1
  W  W28  1  0.749688  0.875186  0.500000  1
  W  W29  1  0.333491  0.000140  0.500000  1
  W  W30  1  0.416699  0.125057  0.500000  1
  W  W31  1  0.500000  0.250013  0.500000  1
  W  W32  1  0.583328  0.374989  0.500000  1
  W  W33  1  0.666692  0.499978  0.500000  1
  W  W34  1  0.750233  0.625112  0.500000  1
  W  W35  1  0.833134  0.750249  0.500000  1
  W  W36  1  0.916331  0.875022  0.500000  1
  W  W37  1  0.500000  0.000090  0.500000  1
  W  W38  1  0.583301  0.125057  0.500000  1
  W  W39  1  0.666640  0.249997  0.500000  1
  W  W40  1  0.749979  0.374917  0.500000  1
  W  W41  1  0.833342  0.499796  0.500000  1
  W  W42  1  0.916829  0.624707  0.500000  1
  W  W43  1  0.666509  0.000140  0.500000  1
  W  W44  1  0.749930  0.125048  0.500000  1
  W  W45  1  0.833301  0.249945  0.500000  1
  W  W46  1  0.916635  0.374803  0.500000  1
  W  W47  1  0.833132  0.000096  0.500000  1
  W  W48  1  0.916642  0.124975  0.500000  1
  S  S49  1  0.081946  0.790970  0.391999  1
  S  S50  1  0.166970  0.916720  0.389359  1
  S  S51  1  0.083224  0.541392  0.389356  1
  S  S52  1  0.166420  0.666788  0.389459  1
  S  S53  1  0.250190  0.791892  0.389362  1
  S  S54  1  0.333608  0.916847  0.389222  1
  S  S55  1  0.083353  0.291539  0.389223  1
  S  S56  1  0.166685  0.416501  0.389233  1
  S  S57  1  0.249922  0.541653  0.389371  1
  S  S58  1  0.333291  0.666724  0.389374  1
  S  S59  1  0.416764  0.791753  0.389230  1
  S  S60  1  0.500000  0.916770  0.389204  1
  S  S61  1  0.083382  0.041610  0.389363  1
  S  S62  1  0.166688  0.166646  0.389247  1
  S  S63  1  0.250024  0.291615  0.389232  1
  S  S64  1  0.333335  0.416642  0.389257  1
  S  S65  1  0.416649  0.541669  0.389276  1
  S  S66  1  0.500000  0.666685  0.389278  1
  S  S67  1  0.583236  0.791753  0.389230  1
  S  S68  1  0.666392  0.916847  0.389222  1
  S  S69  1  0.250140  0.041763  0.389225  1
  S  S70  1  0.333373  0.166698  0.389226  1
  S  S71  1  0.416675  0.291667  0.389243  1
  S  S72  1  0.500000  0.416661  0.389255  1
  S  S73  1  0.583351  0.541669  0.389276  1
  S  S74  1  0.666709  0.666724  0.389374  1
  S  S75  1  0.749810  0.791892  0.389362  1
  S  S76  1  0.833030  0.916720  0.389359  1
  S  S77  1  0.416740  0.041762  0.389203  1
  S  S78  1  0.500000  0.166702  0.389229  1
  S  S79  1  0.583325  0.291667  0.389243  1
  S  S80  1  0.666665  0.416642  0.389257  1
  S  S81  1  0.750078  0.541653  0.389371  1
  S  S82  1  0.833580  0.666788  0.389459  1
  S  S83  1  0.918054  0.790970  0.391999  1
  S  S84  1  0.000000  0.916436  0.389453  1
  S  S85  1  0.583260  0.041762  0.389203  1
  S  S86  1  0.666627  0.166698  0.389226  1
  S  S87  1  0.749976  0.291615  0.389232  1
  S  S88  1  0.833315  0.416501  0.389233  1
  S  S89  1  0.916776  0.541392  0.389356  1
  S  S90  1  0.000000  0.668054  0.392042  1
  S  S91  1  0.749860  0.041763  0.389225  1
  S  S92  1  0.833312  0.166646  0.389247  1
  S  S93  1  0.916647  0.291539  0.389223  1
  S  S94  1  0.000000  0.416345  0.389235  1
  S  S95  1  0.916618  0.041610  0.389363  1
  S  S96  1  0.000000  0.166611  0.389255  1
  S  S97  1  0.081946  0.790970  0.608001  1
  S  S98  1  0.166970  0.916720  0.610641  1
  S  S99  1  0.083224  0.541392  0.610644  1
  S  S100  1  0.166420  0.666788  0.610541  1
  S  S101  1  0.250190  0.791892  0.610638  1
  S  S102  1  0.333608  0.916847  0.610778  1
  S  S103  1  0.083353  0.291539  0.610777  1
  S  S104  1  0.166685  0.416501  0.610767  1
  S  S105  1  0.249922  0.541653  0.610629  1
  S  S106  1  0.333291  0.666724  0.610626  1
  S  S107  1  0.416764  0.791753  0.610770  1
  S  S108  1  0.500000  0.916770  0.610796  1
  S  S109  1  0.083382  0.041610  0.610637  1
  S  S110  1  0.166688  0.166646  0.610753  1
  S  S111  1  0.250024  0.291615  0.610768  1
  S  S112  1  0.333335  0.416642  0.610743  1
  S  S113  1  0.416649  0.541669  0.610724  1
  S  S114  1  0.500000  0.666685  0.610722  1
  S  S115  1  0.583236  0.791753  0.610770  1
  S  S116  1  0.666392  0.916847  0.610778  1
  S  S117  1  0.250140  0.041763  0.610775  1
  S  S118  1  0.333373  0.166698  0.610774  1
  S  S119  1  0.416675  0.291667  0.610757  1
  S  S120  1  0.500000  0.416661  0.610745  1
  S  S121  1  0.583351  0.541669  0.610724  1
  S  S122  1  0.666709  0.666724  0.610626  1
  S  S123  1  0.749810  0.791892  0.610638  1
  S  S124  1  0.833030  0.916720  0.610641  1
  S  S125  1  0.416740  0.041762  0.610797  1
  S  S126  1  0.500000  0.166702  0.610771  1
  S  S127  1  0.583325  0.291667  0.610757  1
  S  S128  1  0.666665  0.416642  0.610743  1
  S  S129  1  0.750078  0.541653  0.610629  1
  S  S130  1  0.833580  0.666788  0.610541  1
  S  S131  1  0.918054  0.790970  0.608001  1
  S  S132  1  -0.000000  0.916436  0.610547  1
  S  S133  1  0.583260  0.041762  0.610797  1
  S  S134  1  0.666627  0.166698  0.610774  1
  S  S135  1  0.749976  0.291615  0.610768  1
  S  S136  1  0.833315  0.416501  0.610767  1
  S  S137  1  0.916776  0.541392  0.610644  1
  S  S138  1  -0.000000  0.668054  0.607958  1
  S  S139  1  0.749860  0.041763  0.610775  1
  S  S140  1  0.833312  0.166646  0.610753  1
  S  S141  1  0.916647  0.291539  0.610777  1
  S  S142  1  -0.000000  0.416345  0.610765  1
  S  S143  1  0.916618  0.041610  0.610637  1
  S  S144  1  -0.000000  0.166611  0.610745  1
