# 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  0.083790  0.791428  0.384872  1
  W  W2  1  0.000896  0.749687  0.506576  1
  W  W3  1  0.084140  0.874453  0.506599  1
  W  W4  1  -0.000118  0.500152  0.500466  1
  W  W5  1  0.082981  0.625578  0.503264  1
  W  W6  1  0.164890  0.750888  0.506174  1
  W  W7  1  0.249347  0.874928  0.503067  1
  W  W8  1  0.000059  0.249921  0.499151  1
  W  W9  1  0.083270  0.375071  0.499464  1
  W  W10  1  0.166463  0.500246  0.500231  1
  W  W11  1  0.249245  0.625562  0.500687  1
  W  W12  1  0.332483  0.750273  0.500427  1
  W  W13  1  0.416520  0.874952  0.499801  1
  W  W14  1  0.000427  -0.000556  0.500964  1
  W  W15  1  0.083420  0.124837  0.499737  1
  W  W16  1  0.166629  0.249965  0.499208  1
  W  W17  1  0.249839  0.375113  0.499151  1
  W  W18  1  0.332980  0.500307  0.499042  1
  W  W19  1  0.416267  0.625229  0.498875  1
  W  W20  1  0.499727  0.750067  0.498607  1
  W  W21  1  0.583425  0.874965  0.498725  1
  W  W22  1  0.166609  -0.000435  0.501364  1
  W  W23  1  0.249935  0.124843  0.499640  1
  W  W24  1  0.333243  0.250012  0.499057  1
  W  W25  1  0.416503  0.375140  0.498783  1
  W  W26  1  0.499790  0.500158  0.498605  1
  W  W27  1  0.583199  0.625109  0.498501  1
  W  W28  1  0.666857  0.750014  0.498655  1
  W  W29  1  0.750385  0.874785  0.499359  1
  W  W30  1  0.333247  -0.000041  0.500363  1
  W  W31  1  0.416683  0.124956  0.499292  1
  W  W32  1  0.499964  0.250019  0.498846  1
  W  W33  1  0.583266  0.375076  0.498686  1
  W  W34  1  0.666608  0.500108  0.498777  1
  W  W35  1  0.750040  0.625084  0.499287  1
  W  W36  1  0.833980  0.750017  0.500595  1
  W  W37  1  0.917916  0.874377  0.502298  1
  W  W38  1  0.500049  -0.000071  0.499255  1
  W  W39  1  0.583435  0.124939  0.498971  1
  W  W40  1  0.666750  0.249957  0.498829  1
  W  W41  1  0.750028  0.375025  0.498911  1
  W  W42  1  0.833379  0.500156  0.499448  1
  W  W43  1  0.916956  0.625315  0.501255  1
  W  W44  1  0.666909  -0.000141  0.498962  1
  W  W45  1  0.750213  0.124832  0.499012  1
  W  W46  1  0.833459  0.249902  0.498999  1
  W  W47  1  0.916691  0.375011  0.499293  1
  W  W48  1  0.833812  -0.000247  0.499671  1
  W  W49  1  0.916928  0.124715  0.499316  1
  S  S50  1  0.165375  0.914364  0.392359  1
  S  S51  1  0.083060  0.542817  0.390728  1
  S  S52  1  0.164011  0.669260  0.392454  1
  S  S53  1  0.246051  0.792304  0.392309  1
  S  S54  1  0.332144  0.916278  0.390491  1
  S  S55  1  0.083336  0.291764  0.388523  1
  S  S56  1  0.166399  0.417127  0.388874  1
  S  S57  1  0.249113  0.542536  0.389224  1
  S  S58  1  0.332109  0.667203  0.389185  1
  S  S59  1  0.415486  0.791796  0.388822  1
  S  S60  1  0.499636  0.916600  0.388503  1
  S  S61  1  0.083590  0.040935  0.389929  1
  S  S62  1  0.166647  0.166394  0.388765  1
  S  S63  1  0.249844  0.291710  0.388411  1
  S  S64  1  0.332969  0.416928  0.388282  1
  S  S65  1  0.416175  0.541926  0.388080  1
  S  S66  1  0.499585  0.666770  0.387880  1
  S  S67  1  0.583334  0.791668  0.387916  1
  S  S68  1  0.667162  0.916506  0.388251  1
  S  S69  1  0.249514  0.040957  0.389690  1
  S  S70  1  0.333156  0.166451  0.388638  1
  S  S71  1  0.416497  0.291677  0.388198  1
  S  S72  1  0.499824  0.416745  0.387973  1
  S  S73  1  0.583249  0.541723  0.387880  1
  S  S74  1  0.666922  0.666674  0.388024  1
  S  S75  1  0.751171  0.791510  0.388709  1
  S  S76  1  0.834978  0.915914  0.389924  1
  S  S77  1  0.416323  0.041429  0.388922  1
  S  S78  1  0.499939  0.166540  0.388334  1
  S  S79  1  0.583344  0.291623  0.388102  1
  S  S80  1  0.666732  0.416723  0.388086  1
  S  S81  1  0.750256  0.541828  0.388418  1
  S  S82  1  0.834167  0.666876  0.389634  1
  S  S83  1  0.920505  0.791255  0.392069  1
  S  S84  1  0.002387  0.914064  0.392171  1
  S  S85  1  0.583389  0.041520  0.388364  1
  S  S86  1  0.666848  0.166507  0.388244  1
  S  S87  1  0.750164  0.291624  0.388210  1
  S  S88  1  0.833520  0.416863  0.388506  1
  S  S89  1  0.917127  0.542411  0.389624  1
  S  S90  1  0.001624  0.668801  0.392383  1
  S  S91  1  0.750577  0.041330  0.388496  1
  S  S92  1  0.833681  0.166411  0.388408  1
  S  S93  1  0.916805  0.291682  0.388411  1
  S  S94  1  0.000034  0.417095  0.388997  1
  S  S95  1  0.917556  0.040852  0.389186  1
  S  S96  1  0.000255  0.166383  0.388622  1
  S  S97  1  0.083139  0.791747  0.617767  1
  S  S98  1  0.167307  0.917458  0.615397  1
  S  S99  1  0.083216  0.541031  0.611999  1
  S  S100  1  0.167037  0.666215  0.614460  1
  S  S101  1  0.250769  0.791599  0.614276  1
  S  S102  1  0.334123  0.916925  0.611680  1
  S  S103  1  0.083311  0.291585  0.609952  1
  S  S104  1  0.166670  0.416524  0.610310  1
  S  S105  1  0.250118  0.541757  0.610574  1
  S  S106  1  0.333370  0.666739  0.610453  1
  S  S107  1  0.416859  0.791493  0.610136  1
  S  S108  1  0.500371  0.916579  0.609910  1
  S  S109  1  0.083323  0.041889  0.611283  1
  S  S110  1  0.166690  0.166777  0.610251  1
  S  S111  1  0.249973  0.291720  0.609814  1
  S  S112  1  0.333274  0.416836  0.609628  1
  S  S113  1  0.416576  0.541857  0.609477  1
  S  S114  1  0.499905  0.666739  0.609268  1
  S  S115  1  0.583314  0.791587  0.609192  1
  S  S116  1  0.666704  0.916529  0.609623  1
  S  S117  1  0.250156  0.041940  0.611140  1
  S  S118  1  0.333411  0.166767  0.609988  1
  S  S119  1  0.416645  0.291803  0.609554  1
  S  S120  1  0.499909  0.416823  0.609357  1
  S  S121  1  0.583144  0.541815  0.609289  1
  S  S122  1  0.666373  0.666753  0.609466  1
  S  S123  1  0.749740  0.791561  0.610135  1
  S  S124  1  0.833180  0.916624  0.610723  1
  S  S125  1  0.417051  0.041789  0.610343  1
  S  S126  1  0.500144  0.166746  0.609711  1
  S  S127  1  0.583350  0.291730  0.609432  1
  S  S128  1  0.666565  0.416737  0.609440  1
  S  S129  1  0.749713  0.541692  0.609874  1
  S  S130  1  0.832835  0.666642  0.610939  1
  S  S131  1  0.915880  0.791573  0.614387  1
  S  S132  1  -0.000261  0.917145  0.614528  1
  S  S133  1  0.583581  0.041611  0.609702  1
  S  S134  1  0.666803  0.166626  0.609609  1
  S  S135  1  0.750032  0.291632  0.609586  1
  S  S136  1  0.833205  0.416612  0.609868  1
  S  S137  1  0.916248  0.541487  0.611076  1
  S  S138  1  -0.000662  0.665846  0.615434  1
  S  S139  1  0.750091  0.041560  0.609850  1
  S  S140  1  0.833445  0.166556  0.609758  1
  S  S141  1  0.916681  0.291557  0.609837  1
  S  S142  1  -0.000127  0.416397  0.610455  1
  S  S143  1  0.916734  0.041693  0.610643  1
  S  S144  1  0.000001  0.166692  0.610101  1
