data_ZnCoCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   2.49
_cell_angle_alpha   101.26
_cell_angle_beta   101.26
_cell_angle_gamma   118.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCoCu2
_chemical_formula_sum   'Zn1 Co1 Cu2'
_cell_volume   48.5
_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  Zn3  1  0.5  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.77  0.11  0.15  1.0
  Cu  Cu2  1  0.77  0.89  0.15  1.0

data_ZnCoCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.49
_cell_length_b   4.65
_cell_length_c   4.9
_cell_angle_alpha   116.32
_cell_angle_beta   101.26
_cell_angle_gamma   97.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCoCu2
_chemical_formula_sum   'Zn1 Co1 Cu2'
_cell_volume   48.5
_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  Zn0  1  0.0  0.0  0.5  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.05  0.89  0.67  1.0
  Cu  Cu3  1  0.26  0.11  0.88  1.0

Zn Co Cu Cu
Zn Co Cu Cu 0 2 o o o 1 3 - - o 2 3 o - o 
CoCu2Zn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CoCu2Zn cluster. Co(1) is bonded in a 1-coordinate geometry to one Cu(2) atom. The Co(1)-Cu(2) bond length is 1.16 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted water-like geometry to one Cu(2) and one Zn(1) atom. The Cu(1)-Cu(2) bond length is 1.03 Å. The Cu(1)-Zn(1) bond length is 1.13 Å. In the second Cu site, Cu(2) is bonded in a distorted L-shaped geometry to one Co(1) and one Cu(1) atom. Zn(1) is bonded in a distorted single-bond geometry to one Cu(1) atom.