# generated using pymatgen
data_Co2CuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.47506038
_cell_length_b   9.47506038
_cell_length_c   9.47506038
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2CuS4
_chemical_formula_sum   'Co16 Cu8 S32'
_cell_volume   850.64030894
_cell_formula_units_Z   8
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  Co0  1  0.87500000  0.12500000  0.87500000  1
  Co  Co1  1  0.37500000  0.87500000  0.62500000  1
  Co  Co2  1  0.62500000  0.12500000  0.62500000  1
  Co  Co3  1  0.12500000  0.87500000  0.87500000  1
  Co  Co4  1  0.87500000  0.62500000  0.37500000  1
  Co  Co5  1  0.37500000  0.37500000  0.12500000  1
  Co  Co6  1  0.62500000  0.62500000  0.12500000  1
  Co  Co7  1  0.12500000  0.37500000  0.37500000  1
  Co  Co8  1  0.37500000  0.12500000  0.37500000  1
  Co  Co9  1  0.87500000  0.87500000  0.12500000  1
  Co  Co10  1  0.12500000  0.12500000  0.12500000  1
  Co  Co11  1  0.62500000  0.87500000  0.37500000  1
  Co  Co12  1  0.37500000  0.62500000  0.87500000  1
  Co  Co13  1  0.87500000  0.37500000  0.62500000  1
  Co  Co14  1  0.12500000  0.62500000  0.62500000  1
  Co  Co15  1  0.62500000  0.37500000  0.87500000  1
  Cu  Cu16  1  0.25000000  0.75000000  0.25000000  1
  Cu  Cu17  1  0.00000000  0.00000000  0.50000000  1
  Cu  Cu18  1  0.25000000  0.25000000  0.75000000  1
  Cu  Cu19  1  0.00000000  0.50000000  0.00000000  1
  Cu  Cu20  1  0.75000000  0.75000000  0.75000000  1
  Cu  Cu21  1  0.50000000  0.00000000  0.00000000  1
  Cu  Cu22  1  0.75000000  0.25000000  0.25000000  1
  Cu  Cu23  1  0.50000000  0.50000000  0.50000000  1
  S  S24  1  0.11208900  0.88791100  0.11208900  1
  S  S25  1  0.13791100  0.63791100  0.86208900  1
  S  S26  1  0.36208900  0.86208900  0.86208900  1
  S  S27  1  0.36208900  0.63791100  0.63791100  1
  S  S28  1  0.88791100  0.88791100  0.88791100  1
  S  S29  1  0.88791100  0.11208900  0.11208900  1
  S  S30  1  0.13791100  0.86208900  0.63791100  1
  S  S31  1  0.11208900  0.11208900  0.88791100  1
  S  S32  1  0.11208900  0.38791100  0.61208900  1
  S  S33  1  0.13791100  0.13791100  0.36208900  1
  S  S34  1  0.36208900  0.36208900  0.36208900  1
  S  S35  1  0.36208900  0.13791100  0.13791100  1
  S  S36  1  0.88791100  0.38791100  0.38791100  1
  S  S37  1  0.88791100  0.61208900  0.61208900  1
  S  S38  1  0.13791100  0.36208900  0.13791100  1
  S  S39  1  0.11208900  0.61208900  0.38791100  1
  S  S40  1  0.61208900  0.88791100  0.61208900  1
  S  S41  1  0.63791100  0.63791100  0.36208900  1
  S  S42  1  0.86208900  0.86208900  0.36208900  1
  S  S43  1  0.86208900  0.63791100  0.13791100  1
  S  S44  1  0.38791100  0.88791100  0.38791100  1
  S  S45  1  0.38791100  0.11208900  0.61208900  1
  S  S46  1  0.63791100  0.86208900  0.13791100  1
  S  S47  1  0.61208900  0.11208900  0.38791100  1
  S  S48  1  0.61208900  0.38791100  0.11208900  1
  S  S49  1  0.63791100  0.13791100  0.86208900  1
  S  S50  1  0.86208900  0.36208900  0.86208900  1
  S  S51  1  0.86208900  0.13791100  0.63791100  1
  S  S52  1  0.38791100  0.38791100  0.88791100  1
  S  S53  1  0.38791100  0.61208900  0.11208900  1
  S  S54  1  0.63791100  0.36208900  0.63791100  1
  S  S55  1  0.61208900  0.61208900  0.88791100  1
