data_Zn2CoCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54
_cell_length_b   8.54
_cell_length_c   8.54
_cell_angle_alpha   17.6
_cell_angle_beta   17.6
_cell_angle_gamma   17.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CoCu
_chemical_formula_sum   'Zn2 Co1 Cu1'
_cell_volume   49.76
_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
  Zn  Zn2  1  0.0  0.0  0.91  1.0
  Zn  Zn3  1  0.0  0.0  0.32  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.61  1.0

data_Zn2CoCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   2.61
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   100.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2CoCu
_chemical_formula_sum   'Zn4 Co2 Cu2'
_cell_volume   99.51
_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
  Zn  Zn0  2  0.0  0.0  0.09  1.0
  Zn  Zn1  2  0.0  0.0  0.68  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0
  Cu  Cu3  2  0.0  0.0  0.39  1.0

Zn Zn Co Cu
CoCuZn2 crystallizes in the monoclinic Cm space group. Co(1) is bonded in a single-bond geometry to one Zn(1) and one Zn(2) atom. The Co(1)-Zn(1) bond length is 0.77 Å. The Co(1)-Zn(2) bond length is 2.72 Å. Cu(1) is bonded in a distorted linear geometry to six equivalent Cu(1), one Zn(1), and one Zn(2) atom. All Cu(1)-Cu(1) bond lengths are 2.61 Å. The Cu(1)-Zn(1) bond length is 2.53 Å. The Cu(1)-Zn(2) bond length is 2.53 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one Co(1) and one Cu(1) atom. In the second Zn site, Zn(2) is bonded to one Co(1), one Cu(1), and six equivalent Zn(2) atoms to form a mixture of distorted corner and edge-sharing ZnZn6CoCu hexagonal bipyramids. All Zn(2)-Zn(2) bond lengths are 2.61 Å.