# 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  0.083334  0.788548  0.379136  1
  W  W2  1  0.001788  0.750834  0.508416  1
  W  W3  1  0.083333  0.873283  0.507297  1
  W  W4  1  -0.000006  0.500490  0.500433  1
  W  W5  1  0.083333  0.625831  0.504257  1
  W  W6  1  0.164878  0.750834  0.508416  1
  W  W7  1  0.248956  0.874518  0.503668  1
  W  W8  1  0.000075  0.250014  0.499031  1
  W  W9  1  0.083334  0.375275  0.499504  1
  W  W10  1  0.166672  0.500490  0.500433  1
  W  W11  1  0.249377  0.625700  0.501038  1
  W  W12  1  0.332518  0.750141  0.501027  1
  W  W13  1  0.416315  0.874734  0.500155  1
  W  W14  1  0.000428  -0.000837  0.501085  1
  W  W15  1  0.083333  0.124693  0.499501  1
  W  W16  1  0.166591  0.250014  0.499031  1
  W  W17  1  0.249867  0.375262  0.498895  1
  W  W18  1  0.333085  0.500454  0.498741  1
  W  W19  1  0.416357  0.625280  0.498828  1
  W  W20  1  0.499752  0.750002  0.498779  1
  W  W21  1  0.583333  0.874826  0.499108  1
  W  W22  1  0.166238  -0.000837  0.501085  1
  W  W23  1  0.249706  0.124632  0.499298  1
  W  W24  1  0.333145  0.249953  0.498649  1
  W  W25  1  0.416494  0.375255  0.498135  1
  W  W26  1  0.499903  0.500284  0.497943  1
  W  W27  1  0.583334  0.625200  0.498085  1
  W  W28  1  0.666915  0.750002  0.498779  1
  W  W29  1  0.750352  0.874734  0.500154  1
  W  W30  1  0.332851  -0.000270  0.500310  1
  W  W31  1  0.416465  0.124810  0.499039  1
  W  W32  1  0.499926  0.250008  0.498359  1
  W  W33  1  0.583333  0.375189  0.497904  1
  W  W34  1  0.666765  0.500285  0.497943  1
  W  W35  1  0.750310  0.625281  0.498827  1
  W  W36  1  0.834149  0.750141  0.501027  1
  W  W37  1  0.917711  0.874518  0.503668  1
  W  W38  1  0.499826  -0.000257  0.499447  1
  W  W39  1  0.583333  0.124829  0.498931  1
  W  W40  1  0.666740  0.250008  0.498359  1
  W  W41  1  0.750173  0.375255  0.498135  1
  W  W42  1  0.833582  0.500454  0.498742  1
  W  W43  1  0.917290  0.625700  0.501038  1
  W  W44  1  0.666840  -0.000257  0.499447  1
  W  W45  1  0.750202  0.124810  0.499040  1
  W  W46  1  0.833521  0.249953  0.498649  1
  W  W47  1  0.916800  0.375263  0.498895  1
  W  W48  1  0.833815  -0.000270  0.500311  1
  W  W49  1  0.916961  0.124632  0.499299  1
  S  S50  1  0.164889  0.913446  0.392748  1
  S  S51  1  0.083333  0.543218  0.391152  1
  S  S52  1  0.163844  0.669545  0.393300  1
  S  S53  1  0.245946  0.792008  0.393311  1
  S  S54  1  0.331776  0.915859  0.390859  1
  S  S55  1  0.083333  0.291926  0.388558  1
  S  S56  1  0.166359  0.417461  0.388939  1
  S  S57  1  0.249108  0.542846  0.389259  1
  S  S58  1  0.332123  0.667291  0.389433  1
  S  S59  1  0.415329  0.791686  0.389155  1
  S  S60  1  0.499450  0.916354  0.388852  1
  S  S61  1  0.083333  0.040655  0.389757  1
  S  S62  1  0.166489  0.166322  0.388596  1
  S  S63  1  0.249730  0.291797  0.388258  1
  S  S64  1  0.332838  0.417125  0.387919  1
  S  S65  1  0.416129  0.542168  0.387741  1
  S  S66  1  0.499555  0.666950  0.387746  1
  S  S67  1  0.583333  0.791700  0.388111  1
  S  S68  1  0.667216  0.916354  0.388851  1
  S  S69  1  0.249201  0.040569  0.389470  1
  S  S70  1  0.332966  0.166242  0.388421  1
  S  S71  1  0.416395  0.291636  0.387874  1
  S  S72  1  0.499805  0.416896  0.387389  1
  S  S73  1  0.583334  0.541980  0.387267  1
  S  S74  1  0.667112  0.666950  0.387745  1
  S  S75  1  0.751338  0.791686  0.389155  1
  S  S76  1  0.834890  0.915859  0.390859  1
  S  S77  1  0.416067  0.041071  0.388977  1
  S  S78  1  0.499848  0.166314  0.388258  1
  S  S79  1  0.583333  0.291590  0.387688  1
  S  S80  1  0.666861  0.416896  0.387389  1
  S  S81  1  0.750538  0.542168  0.387741  1
  S  S82  1  0.834545  0.667290  0.389433  1
  S  S83  1  0.920721  0.792009  0.393310  1
  S  S84  1  0.001778  0.913446  0.392748  1
  S  S85  1  0.583333  0.041237  0.388707  1
  S  S86  1  0.666818  0.166314  0.388258  1
  S  S87  1  0.750271  0.291636  0.387873  1
  S  S88  1  0.833829  0.417125  0.387919  1
  S  S89  1  0.917559  0.542846  0.389259  1
  S  S90  1  0.002823  0.669546  0.393299  1
  S  S91  1  0.750600  0.041072  0.388976  1
  S  S92  1  0.833700  0.166242  0.388421  1
  S  S93  1  0.916936  0.291797  0.388258  1
  S  S94  1  0.000308  0.417460  0.388939  1
  S  S95  1  0.917466  0.040570  0.389470  1
  S  S96  1  0.000178  0.166322  0.388596  1
  S  S97  1  0.083333  0.791767  0.620369  1
  S  S98  1  0.166545  0.917131  0.615186  1
  S  S99  1  0.083333  0.540929  0.612419  1
  S  S100  1  0.167431  0.666206  0.615578  1
  S  S101  1  0.250993  0.791523  0.615318  1
  S  S102  1  0.333889  0.916860  0.611848  1
  S  S103  1  0.083333  0.291687  0.609802  1
  S  S104  1  0.166841  0.416636  0.610284  1
  S  S105  1  0.250473  0.541791  0.610728  1
  S  S106  1  0.333640  0.666584  0.610897  1
  S  S107  1  0.416979  0.791349  0.610614  1
  S  S108  1  0.500195  0.916446  0.610193  1
  S  S109  1  0.083334  0.041756  0.611156  1
  S  S110  1  0.166633  0.166683  0.609872  1
  S  S111  1  0.250031  0.291787  0.609421  1
  S  S112  1  0.333434  0.416926  0.609137  1
  S  S113  1  0.416778  0.541799  0.609116  1
  S  S114  1  0.500115  0.666628  0.609197  1
  S  S115  1  0.583333  0.791399  0.609488  1
  S  S116  1  0.666472  0.916446  0.610192  1
  S  S117  1  0.249711  0.041727  0.610885  1
  S  S118  1  0.333189  0.166676  0.609519  1
  S  S119  1  0.416635  0.291884  0.608831  1
  S  S120  1  0.499997  0.416911  0.608511  1
  S  S121  1  0.583333  0.541820  0.608580  1
  S  S122  1  0.666552  0.666629  0.609197  1
  S  S123  1  0.749688  0.791349  0.610614  1
  S  S124  1  0.832777  0.916860  0.611847  1
  S  S125  1  0.416649  0.041700  0.610184  1
  S  S126  1  0.499943  0.166769  0.609276  1
  S  S127  1  0.583333  0.291887  0.608660  1
  S  S128  1  0.666670  0.416911  0.608511  1
  S  S129  1  0.749890  0.541800  0.609115  1
  S  S130  1  0.833026  0.666584  0.610896  1
  S  S131  1  0.915673  0.791522  0.615318  1
  S  S132  1  0.000121  0.917131  0.615186  1
  S  S133  1  0.583333  0.041584  0.609818  1
  S  S134  1  0.666723  0.166769  0.609276  1
  S  S135  1  0.750032  0.291884  0.608831  1
  S  S136  1  0.833232  0.416926  0.609138  1
  S  S137  1  0.916194  0.541791  0.610727  1
  S  S138  1  -0.000764  0.666207  0.615579  1
  S  S139  1  0.750017  0.041700  0.610185  1
  S  S140  1  0.833477  0.166677  0.609519  1
  S  S141  1  0.916636  0.291787  0.609421  1
  S  S142  1  -0.000173  0.416636  0.610283  1
  S  S143  1  0.916955  0.041727  0.610886  1
  S  S144  1  0.000033  0.166683  0.609872  1
