data_ZnCu2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   4.23
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   102.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu2As
_chemical_formula_sum   'Zn1 Cu2 As1'
_cell_volume   59.6
_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  0.92  0.0  0.14  1.0
  Cu  Cu1  1  0.23  0.0  0.79  1.0
  Cu  Cu2  1  0.78  0.12  0.27  1.0
  As  As0  1  0.36  0.12  0.79  1.0

data_ZnCu2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.23
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   102.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu2As
_chemical_formula_sum   'Zn1 Cu2 As1'
_cell_volume   59.6
_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  0.92  0.0  0.14  1.0
  Cu  Cu1  1  0.23  0.0  0.79  1.0
  Cu  Cu2  1  0.78  0.12  0.27  1.0
  As  As3  1  0.36  0.12  0.79  1.0

Zn Cu Cu As
Zn Cu Cu As 0 2 o o o 1 3 o o o 
CuZnCuAs crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CuAs cluster and one CuZn cluster. In the CuAs cluster, Cu(1) is bonded in a single-bond geometry to one As(1) atom. The Cu(1)-As(1) bond length is 0.63 Å. As(1) is bonded in a single-bond geometry to one Cu(1) atom. In the CuZn cluster, Cu(2) is bonded in a single-bond geometry to one Zn(1) atom. The Cu(2)-Zn(1) bond length is 0.95 Å. Zn(1) is bonded in a distorted single-bond geometry to one Cu(2) atom.