data_Cd2CuBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   133.29
_cell_angle_beta   133.29
_cell_angle_gamma   68.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CuBi
_chemical_formula_sum   'Cd2 Cu1 Bi1'
_cell_volume   89.73
_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
  Cd  Cd1  1  0.0  0.21  0.3  1.0
  Cd  Cd2  1  0.21  0.0  0.3  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.61  1.0

data_Cd2CuBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   124.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2CuBi
_chemical_formula_sum   'Cd4 Cu2 Bi2'
_cell_volume   179.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cd  Cd0  4  0.4  0.4  0.1  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.0  0.0  0.61  1.0

Cd Cd Cu Bi
Cd Cd Cu Bi 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o - 
CuCd2Bi crystallizes in the monoclinic Cm space group. Cu(1) is bonded in a 3-coordinate geometry to two equivalent Cd(1) and one Bi(1) atom. Both Cu(1)-Cd(1) bond lengths are 1.23 Å. The Cu(1)-Bi(1) bond length is 2.18 Å. Cd(1) is bonded in a 1-coordinate geometry to one Cu(1) and two equivalent Bi(1) atoms. There is one shorter (2.62 Å) and one longer (3.48 Å) Cd(1)-Bi(1) bond length. Bi(1) is bonded in a 5-coordinate geometry to one Cu(1) and four equivalent Cd(1) atoms.