data_ZnCu2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.1
_cell_angle_alpha   101.87
_cell_angle_beta   101.87
_cell_angle_gamma   44.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu2Bi
_chemical_formula_sum   'Zn1 Cu2 Bi1'
_cell_volume   72.43
_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  0.73  0.0  0.95  1.0
  Cu  Cu1  1  0.26  0.0  0.63  1.0
  Cu  Cu2  1  0.29  0.0  0.71  1.0
  Bi  Bi0  1  0.02  0.0  0.14  1.0

data_ZnCu2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.56
_cell_length_c   5.1
_cell_angle_alpha   101.87
_cell_angle_beta   90.0
_cell_angle_gamma   112.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu2Bi
_chemical_formula_sum   'Zn1 Cu2 Bi1'
_cell_volume   72.43
_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  0.27  0.05  1.0
  Cu  Cu1  1  0.0  0.71  0.29  1.0
  Cu  Cu2  1  0.0  0.74  0.37  1.0
  Bi  Bi3  1  0.0  0.98  0.86  1.0

Zn Cu Cu Bi
Zn Cu Cu Bi 0 3 + o + 1 2 o o o 
Cu2ZnBi is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Cu2ZnBi cluster. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one Cu(2) atom. The Cu(1)-Cu(2) bond length is 0.41 Å. In the second Cu site, Cu(2) is bonded in a 2-coordinate geometry to one Cu(1) and one Zn(1) atom. The Cu(2)-Zn(1) bond length is 2.12 Å. Zn(1) is bonded in a distorted linear geometry to one Cu(2) and one Bi(1) atom. The Zn(1)-Bi(1) bond length is 1.49 Å. Bi(1) is bonded in a distorted single-bond geometry to one Zn(1) atom.