data_CaCuBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   138.05
_cell_angle_beta   130.73
_cell_angle_gamma   66.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCuBi
_chemical_formula_sum   'Ca1 Cu1 Bi1'
_cell_volume   76.33
_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
  Ca  Ca1  1  0.0  0.0  0.95  1.0
  Cu  Cu2  1  0.0  0.0  0.92  1.0
  Bi  Bi0  1  0.0  0.0  0.06  1.0

data_CaCuBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   4.46
_cell_length_c   5.35
_cell_angle_alpha   114.63
_cell_angle_beta   110.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCuBi
_chemical_formula_sum   'Ca1 Cu1 Bi1'
_cell_volume   76.33
_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
  Ca  Ca0  1  0.05  0.05  0.05  1.0
  Cu  Cu1  1  0.08  0.08  0.08  1.0
  Bi  Bi2  1  0.94  0.94  0.94  1.0

Ca Cu Bi
CaCuBi is Cyanogen Chloride-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaCuBi cluster. Ca(1) is bonded in a linear geometry to one Cu(1) and one Bi(1) atom. The Ca(1)-Cu(1) bond length is 0.19 Å. The Ca(1)-Bi(1) bond length is 0.59 Å. Cu(1) is bonded in a single-bond geometry to one Ca(1) atom. Bi(1) is bonded in a single-bond geometry to one Ca(1) atom.