data_Co3Cu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.51
_cell_length_b   10.51
_cell_length_c   10.51
_cell_angle_alpha   13.68
_cell_angle_beta   13.68
_cell_angle_gamma   13.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Cu2
_chemical_formula_sum   'Co3 Cu2'
_cell_volume   56.49
_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  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.18  1.0
  Co  Co2  1  0.0  0.0  0.04  1.0
  Cu  Cu3  1  0.0  0.0  0.5  1.0
  Cu  Cu4  1  0.0  0.0  0.73  1.0

data_Co3Cu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   2.5
_cell_length_c   10.51
_cell_angle_alpha   90.0
_cell_angle_beta   97.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co3Cu2
_chemical_formula_sum   'Co6 Cu4'
_cell_volume   112.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.82  1.0
  Co  Co1  2  -0.0  0.0  0.96  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0
  Cu  Cu3  2  0.0  0.0  0.27  1.0
  Cu  Cu4  2  0.0  0.0  0.5  1.0

Co Co Co Cu Cu
Co3Cu2 crystallizes in the monoclinic Cm space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Co(3) and one Cu(2) atom. The Co(1)-Co(3) bond length is 0.43 Å. The Co(1)-Cu(2) bond length is 2.88 Å. In the second Co site, Co(2) is bonded in a single-bond geometry to one Co(3) and one Cu(1) atom. The Co(2)-Co(3) bond length is 1.49 Å. The Co(2)-Cu(1) bond length is 3.31 Å. In the third Co site, Co(3) is bonded in a distorted single-bond geometry to one Co(1) and one Co(2) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Co(2), one Cu(2), and six equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing CuCoCu7 hexagonal bipyramids. The Cu(1)-Cu(2) bond length is 2.40 Å. All Cu(1)-Cu(1) bond lengths are 2.50 Å. In the second Cu site, Cu(2) is bonded to one Co(1), one Cu(1), and six equivalent Cu(2) atoms to form a mixture of edge and corner-sharing CuCoCu7 hexagonal bipyramids. All Cu(2)-Cu(2) bond lengths are 2.50 Å.