# generated using pymatgen
data_CoW48S95
_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   CoW48S95
_chemical_formula_sum   'Co1 W48 S95'
_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  0.083333  0.788798  0.378497  1
  W  W2  1  0.001683  0.750846  0.507380  1
  W  W3  1  0.083334  0.873310  0.506358  1
  W  W4  1  -0.000018  0.500514  0.500206  1
  W  W5  1  0.083333  0.625849  0.503529  1
  W  W6  1  0.164983  0.750846  0.507380  1
  W  W7  1  0.249020  0.874529  0.503080  1
  W  W8  1  0.000042  0.249985  0.499025  1
  W  W9  1  0.083334  0.375230  0.499342  1
  W  W10  1  0.166685  0.500514  0.500206  1
  W  W11  1  0.249381  0.625707  0.500595  1
  W  W12  1  0.332550  0.750190  0.500512  1
  W  W13  1  0.416322  0.874756  0.499847  1
  W  W14  1  0.000350  -0.000836  0.500619  1
  W  W15  1  0.083333  0.124605  0.499246  1
  W  W16  1  0.166625  0.249985  0.499025  1
  W  W17  1  0.249952  0.375210  0.499144  1
  W  W18  1  0.333142  0.500478  0.499052  1
  W  W19  1  0.416290  0.625333  0.498774  1
  W  W20  1  0.499778  0.749984  0.498571  1
  W  W21  1  0.583333  0.874804  0.498945  1
  W  W22  1  0.166317  -0.000836  0.500619  1
  W  W23  1  0.249705  0.124636  0.499300  1
  W  W24  1  0.333191  0.249927  0.499184  1
  W  W25  1  0.416537  0.375230  0.499018  1
  W  W26  1  0.499962  0.500262  0.498579  1
  W  W27  1  0.583333  0.625232  0.498259  1
  W  W28  1  0.666889  0.749984  0.498570  1
  W  W29  1  0.750345  0.874756  0.499846  1
  W  W30  1  0.332901  -0.000274  0.500154  1
  W  W31  1  0.416502  0.124853  0.499454  1
  W  W32  1  0.499932  0.250001  0.499345  1
  W  W33  1  0.583333  0.375175  0.498973  1
  W  W34  1  0.666705  0.500262  0.498579  1
  W  W35  1  0.750377  0.625333  0.498774  1
  W  W36  1  0.834117  0.750190  0.500511  1
  W  W37  1  0.917646  0.874529  0.503080  1
  W  W38  1  0.499842  -0.000232  0.499513  1
  W  W39  1  0.583333  0.124825  0.499517  1
  W  W40  1  0.666735  0.250001  0.499345  1
  W  W41  1  0.750129  0.375230  0.499019  1
  W  W42  1  0.833525  0.500478  0.499053  1
  W  W43  1  0.917285  0.625706  0.500594  1
  W  W44  1  0.666825  -0.000232  0.499513  1
  W  W45  1  0.750165  0.124853  0.499454  1
  W  W46  1  0.833476  0.249927  0.499184  1
  W  W47  1  0.916715  0.375210  0.499144  1
  W  W48  1  0.833765  -0.000274  0.500154  1
  W  W49  1  0.916961  0.124636  0.499300  1
  S  S50  1  0.165048  0.913561  0.392026  1
  S  S51  1  0.083333  0.543057  0.390703  1
  S  S52  1  0.163992  0.669409  0.392465  1
  S  S53  1  0.246161  0.792082  0.392471  1
  S  S54  1  0.331943  0.915975  0.390435  1
  S  S55  1  0.083333  0.291831  0.388424  1
  S  S56  1  0.166570  0.417342  0.388854  1
  S  S57  1  0.249296  0.542710  0.389109  1
  S  S58  1  0.332228  0.667249  0.388977  1
  S  S59  1  0.415457  0.791692  0.388739  1
  S  S60  1  0.499527  0.916447  0.388655  1
  S  S61  1  0.083333  0.040679  0.389284  1
  S  S62  1  0.166576  0.166348  0.388447  1
  S  S63  1  0.249941  0.291756  0.388437  1
  S  S64  1  0.333138  0.417031  0.388403  1
  S  S65  1  0.416287  0.542004  0.388040  1
  S  S66  1  0.499618  0.666836  0.387649  1
  S  S67  1  0.583333  0.791688  0.387817  1
  S  S68  1  0.667139  0.916447  0.388655  1
  S  S69  1  0.249358  0.040687  0.389208  1
  S  S70  1  0.333127  0.166364  0.388670  1
  S  S71  1  0.416588  0.291638  0.388624  1
  S  S72  1  0.499909  0.416754  0.388240  1
  S  S73  1  0.583333  0.541843  0.387724  1
  S  S74  1  0.667048  0.666836  0.387649  1
  S  S75  1  0.751210  0.791692  0.388738  1
  S  S76  1  0.834724  0.915976  0.390434  1
  S  S77  1  0.416198  0.041257  0.389031  1
  S  S78  1  0.499927  0.166481  0.388876  1
  S  S79  1  0.583333  0.291590  0.388675  1
  S  S80  1  0.666758  0.416754  0.388240  1
  S  S81  1  0.750379  0.542004  0.388040  1
  S  S82  1  0.834438  0.667249  0.388977  1
  S  S83  1  0.920505  0.792082  0.392472  1
  S  S84  1  0.001618  0.913561  0.392026  1
  S  S85  1  0.583333  0.041428  0.388873  1
  S  S86  1  0.666740  0.166481  0.388876  1
  S  S87  1  0.750079  0.291638  0.388624  1
  S  S88  1  0.833529  0.417031  0.388403  1
  S  S89  1  0.917371  0.542710  0.389109  1
  S  S90  1  0.002674  0.669409  0.392465  1
  S  S91  1  0.750469  0.041257  0.389031  1
  S  S92  1  0.833540  0.166364  0.388670  1
  S  S93  1  0.916726  0.291756  0.388437  1
  S  S94  1  0.000098  0.417342  0.388854  1
  S  S95  1  0.917309  0.040687  0.389208  1
  S  S96  1  0.000091  0.166348  0.388447  1
  S  S97  1  0.083333  0.791687  0.619390  1
  S  S98  1  0.166466  0.916979  0.614523  1
  S  S99  1  0.083333  0.541121  0.612022  1
  S  S100  1  0.167324  0.666358  0.614883  1
  S  S101  1  0.250874  0.791527  0.614713  1
  S  S102  1  0.333824  0.916785  0.611592  1
  S  S103  1  0.083334  0.291655  0.609769  1
  S  S104  1  0.166762  0.416678  0.610212  1
  S  S105  1  0.250299  0.541989  0.610675  1
  S  S106  1  0.333473  0.666750  0.610657  1
  S  S107  1  0.416877  0.791340  0.610331  1
  S  S108  1  0.500152  0.916342  0.610100  1
  S  S109  1  0.083333  0.041583  0.610814  1
  S  S110  1  0.166543  0.166572  0.609842  1
  S  S111  1  0.249900  0.291739  0.609754  1
  S  S112  1  0.333317  0.417008  0.609712  1
  S  S113  1  0.416713  0.542000  0.609460  1
  S  S114  1  0.500014  0.666735  0.609239  1
  S  S115  1  0.583333  0.791373  0.609373  1
  S  S116  1  0.666515  0.916342  0.610099  1
  S  S117  1  0.249647  0.041594  0.610728  1
  S  S118  1  0.333048  0.166547  0.609931  1
  S  S119  1  0.416510  0.291817  0.609766  1
  S  S120  1  0.499973  0.417005  0.609469  1
  S  S121  1  0.583333  0.542009  0.609148  1
  S  S122  1  0.666652  0.666735  0.609239  1
  S  S123  1  0.749789  0.791340  0.610330  1
  S  S124  1  0.832843  0.916785  0.611592  1
  S  S125  1  0.416615  0.041568  0.610345  1
  S  S126  1  0.499884  0.166621  0.610051  1
  S  S127  1  0.583333  0.291861  0.609811  1
  S  S128  1  0.666694  0.417005  0.609469  1
  S  S129  1  0.749953  0.541999  0.609460  1
  S  S130  1  0.833194  0.666750  0.610656  1
  S  S131  1  0.915792  0.791527  0.614713  1
  S  S132  1  0.000200  0.916979  0.614522  1
  S  S133  1  0.583333  0.041445  0.610130  1
  S  S134  1  0.666783  0.166621  0.610051  1
  S  S135  1  0.750157  0.291817  0.609766  1
  S  S136  1  0.833350  0.417008  0.609712  1
  S  S137  1  0.916367  0.541989  0.610676  1
  S  S138  1  -0.000657  0.666358  0.614883  1
  S  S139  1  0.750051  0.041568  0.610345  1
  S  S140  1  0.833619  0.166547  0.609931  1
  S  S141  1  0.916767  0.291739  0.609754  1
  S  S142  1  -0.000095  0.416678  0.610212  1
  S  S143  1  0.917019  0.041594  0.610728  1
  S  S144  1  0.000124  0.166572  0.609842  1
