# generated using pymatgen
data_CoW47S96
_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   CoW47S96
_chemical_formula_sum   'Co1 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
  Co  Co1  1  -0.000000  0.750024  0.500000  1
  W  W2  1  0.084617  0.875823  0.500000  1
  W  W3  1  0.000000  0.499046  0.500000  1
  W  W4  1  0.083504  0.623590  0.500000  1
  W  W5  1  0.168102  0.750593  0.500000  1
  W  W6  1  0.250791  0.875492  0.500000  1
  W  W7  1  0.000000  0.249441  0.500000  1
  W  W8  1  0.083361  0.374283  0.500000  1
  W  W9  1  0.166393  0.499403  0.500000  1
  W  W10  1  0.249679  0.625219  0.500000  1
  W  W11  1  0.333665  0.750593  0.500000  1
  W  W12  1  0.416991  0.875444  0.500000  1
  W  W13  1  0.000000  -0.000419  0.500000  1
  W  W14  1  0.083431  0.124628  0.500000  1
  W  W15  1  0.166721  0.249613  0.500000  1
  W  W16  1  0.249995  0.374695  0.500000  1
  W  W17  1  0.333171  0.500071  0.500000  1
  W  W18  1  0.416606  0.625291  0.500000  1
  W  W19  1  0.500000  0.750390  0.500000  1
  W  W20  1  0.583009  0.875444  0.500000  1
  W  W21  1  0.167332  0.000029  0.500000  1
  W  W22  1  0.250248  0.125023  0.500000  1
  W  W23  1  0.333400  0.249969  0.500000  1
  W  W24  1  0.416641  0.375087  0.500000  1
  W  W25  1  0.500000  0.500209  0.500000  1
  W  W26  1  0.583394  0.625291  0.500000  1
  W  W27  1  0.666335  0.750593  0.500000  1
  W  W28  1  0.749209  0.875492  0.500000  1
  W  W29  1  0.333768  0.000372  0.500000  1
  W  W30  1  0.416789  0.125220  0.500000  1
  W  W31  1  0.500000  0.250128  0.500000  1
  W  W32  1  0.583359  0.375087  0.500000  1
  W  W33  1  0.666829  0.500071  0.500000  1
  W  W34  1  0.750321  0.625219  0.500000  1
  W  W35  1  0.831898  0.750593  0.500000  1
  W  W36  1  0.915383  0.875823  0.500000  1
  W  W37  1  0.500000  0.000363  0.500000  1
  W  W38  1  0.583211  0.125220  0.500000  1
  W  W39  1  0.666600  0.249969  0.500000  1
  W  W40  1  0.750005  0.374695  0.500000  1
  W  W41  1  0.833607  0.499403  0.500000  1
  W  W42  1  0.916496  0.623590  0.500000  1
  W  W43  1  0.666232  0.000372  0.500000  1
  W  W44  1  0.749752  0.125023  0.500000  1
  W  W45  1  0.833279  0.249613  0.500000  1
  W  W46  1  0.916639  0.374283  0.500000  1
  W  W47  1  0.832668  0.000029  0.500000  1
  W  W48  1  0.916569  0.124628  0.500000  1
  S  S49  1  0.083729  0.791893  0.390961  1
  S  S50  1  0.167581  0.916977  0.388874  1
  S  S51  1  0.083173  0.540746  0.388924  1
  S  S52  1  0.166063  0.666983  0.389776  1
  S  S53  1  0.250715  0.792277  0.388889  1
  S  S54  1  0.333893  0.917127  0.389173  1
  S  S55  1  0.083340  0.291077  0.389248  1
  S  S56  1  0.166617  0.416187  0.389276  1
  S  S57  1  0.249706  0.541734  0.389440  1
  S  S58  1  0.333159  0.666964  0.389419  1
  S  S59  1  0.416860  0.792067  0.389207  1
  S  S60  1  0.500000  0.917091  0.389121  1
  S  S61  1  0.083436  0.041287  0.389362  1
  S  S62  1  0.166696  0.166342  0.389272  1
  S  S63  1  0.249994  0.291427  0.389274  1
  S  S64  1  0.333236  0.416724  0.389359  1
  S  S65  1  0.416546  0.541888  0.389407  1
  S  S66  1  0.500000  0.666926  0.389368  1
  S  S67  1  0.583140  0.792067  0.389207  1
  S  S68  1  0.666107  0.917127  0.389173  1
  S  S69  1  0.250358  0.041812  0.389202  1
  S  S70  1  0.333451  0.166739  0.389220  1
  S  S71  1  0.416658  0.291775  0.389297  1
  S  S72  1  0.500000  0.416839  0.389363  1
  S  S73  1  0.583454  0.541888  0.389407  1
  S  S74  1  0.666841  0.666964  0.389419  1
  S  S75  1  0.749285  0.792277  0.388889  1
  S  S76  1  0.832419  0.916977  0.388875  1
  S  S77  1  0.416848  0.041993  0.389148  1
  S  S78  1  0.500000  0.166875  0.389212  1
  S  S79  1  0.583341  0.291775  0.389297  1
  S  S80  1  0.666764  0.416724  0.389359  1
  S  S81  1  0.750294  0.541734  0.389440  1
  S  S82  1  0.833937  0.666983  0.389776  1
  S  S83  1  0.916271  0.791893  0.390961  1
  S  S84  1  -0.000000  0.916027  0.389751  1
  S  S85  1  0.583152  0.041993  0.389148  1
  S  S86  1  0.666549  0.166739  0.389220  1
  S  S87  1  0.750006  0.291427  0.389274  1
  S  S88  1  0.833383  0.416187  0.389276  1
  S  S89  1  0.916827  0.540746  0.388924  1
  S  S90  1  0.000000  0.666229  0.390990  1
  S  S91  1  0.749642  0.041812  0.389202  1
  S  S92  1  0.833304  0.166342  0.389272  1
  S  S93  1  0.916660  0.291077  0.389248  1
  S  S94  1  -0.000000  0.415816  0.389260  1
  S  S95  1  0.916564  0.041287  0.389362  1
  S  S96  1  0.000000  0.166146  0.389298  1
  S  S97  1  0.083729  0.791893  0.609039  1
  S  S98  1  0.167581  0.916977  0.611126  1
  S  S99  1  0.083173  0.540746  0.611076  1
  S  S100  1  0.166063  0.666983  0.610224  1
  S  S101  1  0.250715  0.792277  0.611112  1
  S  S102  1  0.333893  0.917127  0.610828  1
  S  S103  1  0.083340  0.291077  0.610753  1
  S  S104  1  0.166617  0.416187  0.610724  1
  S  S105  1  0.249706  0.541734  0.610560  1
  S  S106  1  0.333159  0.666964  0.610581  1
  S  S107  1  0.416860  0.792067  0.610793  1
  S  S108  1  0.500000  0.917091  0.610879  1
  S  S109  1  0.083436  0.041287  0.610638  1
  S  S110  1  0.166696  0.166342  0.610728  1
  S  S111  1  0.249994  0.291427  0.610726  1
  S  S112  1  0.333236  0.416724  0.610641  1
  S  S113  1  0.416546  0.541888  0.610593  1
  S  S114  1  0.500000  0.666926  0.610632  1
  S  S115  1  0.583140  0.792067  0.610793  1
  S  S116  1  0.666107  0.917127  0.610828  1
  S  S117  1  0.250358  0.041812  0.610799  1
  S  S118  1  0.333451  0.166739  0.610780  1
  S  S119  1  0.416658  0.291775  0.610703  1
  S  S120  1  0.500000  0.416839  0.610638  1
  S  S121  1  0.583454  0.541888  0.610593  1
  S  S122  1  0.666841  0.666964  0.610581  1
  S  S123  1  0.749285  0.792277  0.611112  1
  S  S124  1  0.832419  0.916977  0.611126  1
  S  S125  1  0.416848  0.041993  0.610853  1
  S  S126  1  0.500000  0.166875  0.610788  1
  S  S127  1  0.583342  0.291775  0.610703  1
  S  S128  1  0.666764  0.416724  0.610641  1
  S  S129  1  0.750294  0.541734  0.610560  1
  S  S130  1  0.833937  0.666983  0.610224  1
  S  S131  1  0.916271  0.791893  0.609039  1
  S  S132  1  0.000000  0.916027  0.610249  1
  S  S133  1  0.583152  0.041993  0.610853  1
  S  S134  1  0.666549  0.166739  0.610780  1
  S  S135  1  0.750006  0.291427  0.610726  1
  S  S136  1  0.833383  0.416187  0.610724  1
  S  S137  1  0.916827  0.540746  0.611076  1
  S  S138  1  -0.000000  0.666229  0.609010  1
  S  S139  1  0.749642  0.041812  0.610799  1
  S  S140  1  0.833304  0.166342  0.610728  1
  S  S141  1  0.916660  0.291077  0.610753  1
  S  S142  1  0.000000  0.415816  0.610740  1
  S  S143  1  0.916564  0.041287  0.610638  1
  S  S144  1  0.000000  0.166146  0.610702  1
