# 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  0.086225  0.793197  0.379119  1
  W  W2  1  0.001732  0.750870  0.507094  1
  W  W3  1  0.083431  0.873260  0.508186  1
  W  W4  1  -0.000057  0.500480  0.500158  1
  W  W5  1  0.083228  0.626066  0.503517  1
  W  W6  1  0.164970  0.750943  0.508160  1
  W  W7  1  0.249215  0.874566  0.503896  1
  W  W8  1  0.000038  0.249957  0.499025  1
  W  W9  1  0.083273  0.375243  0.499411  1
  W  W10  1  0.166580  0.500478  0.500203  1
  W  W11  1  0.249429  0.625642  0.500963  1
  W  W12  1  0.332431  0.750155  0.500816  1
  W  W13  1  0.416386  0.874672  0.500223  1
  W  W14  1  0.000297  -0.000734  0.501218  1
  W  W15  1  0.083289  0.124666  0.499445  1
  W  W16  1  0.166537  0.249956  0.498986  1
  W  W17  1  0.249815  0.375219  0.498951  1
  W  W18  1  0.333063  0.500407  0.498874  1
  W  W19  1  0.416366  0.625232  0.498906  1
  W  W20  1  0.499774  0.749964  0.498812  1
  W  W21  1  0.583337  0.874742  0.499138  1
  W  W22  1  0.166325  -0.000827  0.501078  1
  W  W23  1  0.249708  0.124657  0.499204  1
  W  W24  1  0.333090  0.249920  0.498673  1
  W  W25  1  0.416445  0.375166  0.498413  1
  W  W26  1  0.499888  0.500242  0.498249  1
  W  W27  1  0.583323  0.625156  0.498232  1
  W  W28  1  0.666927  0.749950  0.498769  1
  W  W29  1  0.750290  0.874637  0.500056  1
  W  W30  1  0.332922  -0.000292  0.500361  1
  W  W31  1  0.416432  0.124746  0.499043  1
  W  W32  1  0.499879  0.249929  0.498538  1
  W  W33  1  0.583290  0.375120  0.498309  1
  W  W34  1  0.666725  0.500244  0.498255  1
  W  W35  1  0.750243  0.625227  0.498849  1
  W  W36  1  0.834297  0.750102  0.500649  1
  W  W37  1  0.917637  0.874389  0.503529  1
  W  W38  1  0.499845  -0.000331  0.499473  1
  W  W39  1  0.583286  0.124716  0.498965  1
  W  W40  1  0.666705  0.249919  0.498581  1
  W  W41  1  0.750139  0.375186  0.498482  1
  W  W42  1  0.833564  0.500449  0.498871  1
  W  W43  1  0.917253  0.625783  0.500717  1
  W  W44  1  0.666799  -0.000361  0.499435  1
  W  W45  1  0.750169  0.124718  0.499085  1
  W  W46  1  0.833469  0.249907  0.498767  1
  W  W47  1  0.916745  0.375209  0.498995  1
  W  W48  1  0.833706  -0.000356  0.500300  1
  W  W49  1  0.916887  0.124650  0.499301  1
  S  S50  1  0.165210  0.913203  0.393051  1
  S  S51  1  0.083272  0.543247  0.390775  1
  S  S52  1  0.164276  0.669555  0.393172  1
  S  S53  1  0.245790  0.792311  0.393004  1
  S  S54  1  0.331985  0.915893  0.390920  1
  S  S55  1  0.083278  0.291870  0.388517  1
  S  S56  1  0.166363  0.417355  0.388850  1
  S  S57  1  0.249191  0.542760  0.389221  1
  S  S58  1  0.332225  0.667273  0.389356  1
  S  S59  1  0.415415  0.791657  0.389121  1
  S  S60  1  0.499494  0.916279  0.388887  1
  S  S61  1  0.083320  0.040605  0.389710  1
  S  S62  1  0.166446  0.166315  0.388491  1
  S  S63  1  0.249678  0.291766  0.388239  1
  S  S64  1  0.332888  0.417060  0.388088  1
  S  S65  1  0.416186  0.542069  0.387914  1
  S  S66  1  0.499589  0.666869  0.387822  1
  S  S67  1  0.583333  0.791625  0.388113  1
  S  S68  1  0.667133  0.916266  0.388800  1
  S  S69  1  0.249299  0.040584  0.389418  1
  S  S70  1  0.332984  0.166258  0.388325  1
  S  S71  1  0.416402  0.291604  0.387983  1
  S  S72  1  0.499802  0.416823  0.387741  1
  S  S73  1  0.583318  0.541889  0.387522  1
  S  S74  1  0.667019  0.666860  0.387765  1
  S  S75  1  0.751266  0.791619  0.389007  1
  S  S76  1  0.834802  0.915808  0.390788  1
  S  S77  1  0.416125  0.041030  0.388964  1
  S  S78  1  0.499822  0.166278  0.388290  1
  S  S79  1  0.583312  0.291566  0.387977  1
  S  S80  1  0.666799  0.416810  0.387778  1
  S  S81  1  0.750420  0.542051  0.387897  1
  S  S82  1  0.834367  0.667225  0.389215  1
  S  S83  1  0.920754  0.791950  0.392535  1
  S  S84  1  0.001658  0.913524  0.393248  1
  S  S85  1  0.583307  0.041133  0.388687  1
  S  S86  1  0.666781  0.166266  0.388340  1
  S  S87  1  0.750178  0.291621  0.388074  1
  S  S88  1  0.833693  0.417065  0.388136  1
  S  S89  1  0.917393  0.542793  0.389128  1
  S  S90  1  0.002318  0.669637  0.392527  1
  S  S91  1  0.750501  0.041028  0.388939  1
  S  S92  1  0.833619  0.166253  0.388416  1
  S  S93  1  0.916858  0.291741  0.388313  1
  S  S94  1  0.000171  0.417337  0.388849  1
  S  S95  1  0.917326  0.040597  0.389485  1
  S  S96  1  0.000102  0.166316  0.388545  1
  S  S97  1  0.083253  0.791626  0.620049  1
  S  S98  1  0.166825  0.917379  0.615385  1
  S  S99  1  0.083208  0.541223  0.611808  1
  S  S100  1  0.167231  0.666078  0.615158  1
  S  S101  1  0.250882  0.791333  0.615286  1
  S  S102  1  0.334120  0.916883  0.612151  1
  S  S103  1  0.083300  0.291656  0.609758  1
  S  S104  1  0.166723  0.416666  0.610178  1
  S  S105  1  0.250290  0.541742  0.610664  1
  S  S106  1  0.333586  0.666610  0.610789  1
  S  S107  1  0.416899  0.791234  0.610557  1
  S  S108  1  0.500233  0.916370  0.610273  1
  S  S109  1  0.083348  0.041785  0.611135  1
  S  S110  1  0.166597  0.166637  0.609848  1
  S  S111  1  0.249932  0.291714  0.609437  1
  S  S112  1  0.333315  0.416889  0.609301  1
  S  S113  1  0.416720  0.541787  0.609311  1
  S  S114  1  0.500075  0.666621  0.609294  1
  S  S115  1  0.583371  0.791340  0.609500  1
  S  S116  1  0.666485  0.916327  0.610208  1
  S  S117  1  0.249747  0.041794  0.610824  1
  S  S118  1  0.333145  0.166626  0.609512  1
  S  S119  1  0.416519  0.291753  0.609033  1
  S  S120  1  0.499911  0.416872  0.608846  1
  S  S121  1  0.583304  0.541840  0.608859  1
  S  S122  1  0.666580  0.666625  0.609292  1
  S  S123  1  0.749886  0.791244  0.610457  1
  S  S124  1  0.832701  0.916682  0.611797  1
  S  S125  1  0.416694  0.041663  0.610245  1
  S  S126  1  0.499887  0.166632  0.609349  1
  S  S127  1  0.583285  0.291758  0.608969  1
  S  S128  1  0.666648  0.416877  0.608881  1
  S  S129  1  0.749908  0.541824  0.609300  1
  S  S130  1  0.833110  0.666630  0.610642  1
  S  S131  1  0.916154  0.791227  0.614924  1
  S  S132  1  -0.000358  0.917340  0.615251  1
  S  S133  1  0.583333  0.041471  0.609870  1
  S  S134  1  0.666689  0.166601  0.609375  1
  S  S135  1  0.750043  0.291765  0.609094  1
  S  S136  1  0.833292  0.416941  0.609341  1
  S  S137  1  0.916345  0.541925  0.610570  1
  S  S138  1  -0.000627  0.666551  0.614964  1
  S  S139  1  0.749936  0.041587  0.610233  1
  S  S140  1  0.833432  0.166609  0.609597  1
  S  S141  1  0.916643  0.291701  0.609497  1
  S  S142  1  -0.000179  0.416687  0.610176  1
  S  S143  1  0.916761  0.041776  0.610890  1
  S  S144  1  0.000005  0.166649  0.609901  1
