data_KCu2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   123.52
_cell_angle_beta   114.51
_cell_angle_gamma   91.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCu2Bi
_chemical_formula_sum   'K1 Cu2 Bi1'
_cell_volume   95.37
_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
  K  K3  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.77  0.37  1.0
  Cu  Cu2  1  0.42  0.0  0.18  1.0
  Bi  Bi0  1  0.0  0.0  0.56  1.0

data_KCu2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.84
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   65.49
_cell_angle_beta   61.76
_cell_angle_gamma   61.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCu2Bi
_chemical_formula_sum   'K1 Cu2 Bi1'
_cell_volume   95.37
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.58  0.18  1.0
  Cu  Cu2  1  0.77  0.0  0.61  1.0
  Bi  Bi3  1  0.0  0.0  0.56  1.0

K Cu Cu Bi
KCu2Bi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KCu2Bi cluster. K(1) is bonded in a distorted L-shaped geometry to one Cu(2) and one Bi(1) atom. The K(1)-Cu(2) bond length is 1.96 Å. The K(1)-Bi(1) bond length is 2.26 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one Bi(1) atom. The Cu(1)-Bi(1) bond length is 1.03 Å. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one K(1) atom. Bi(1) is bonded in a distorted water-like geometry to one K(1) and one Cu(1) atom.