data_Cd2BiAu
_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   131.8
_cell_angle_beta   131.8
_cell_angle_gamma   70.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BiAu
_chemical_formula_sum   'Cd2 Bi1 Au1'
_cell_volume   94.05
_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  Cd2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.27  0.0  0.27  1.0
  Bi  Bi1  1  0.0  0.27  0.27  1.0
  Au  Au0  1  0.0  0.0  0.55  1.0

data_Cd2BiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   5.57
_cell_angle_alpha   114.1
_cell_angle_beta   114.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BiAu
_chemical_formula_sum   'Cd2 Bi1 Au1'
_cell_volume   94.05
_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  Cd0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.27  1.0  1.0  1.0
  Bi  Bi2  1  1.0  0.27  1.0  1.0
  Au  Au3  1  0.55  0.55  0.55  1.0

Cd Cd Bi Au
Cd Cd Bi Au 0 2 o o o 0 1 o o o 0 3 o o o 0 3 o o - 1 3 + o o 1 3 o o o 1 3 o o - 2 3 o o o 2 3 o o - 2 3 o + o 
AuCd2Bi crystallizes in the triclinic P1 space group. Au(1) is bonded in a 5-coordinate geometry to one Cd(1), two equivalent Cd(2), and two equivalent Bi(1) atoms. The Au(1)-Cd(1) bond length is 2.52 Å. There is one shorter (2.78 Å) and one longer (3.23 Å) Au(1)-Cd(2) bond length. There is one shorter (2.78 Å) and one longer (3.23 Å) Au(1)-Bi(1) bond length. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 3-coordinate geometry to one Au(1), one Cd(2), and one Bi(1) atom. The Cd(1)-Cd(2) bond length is 1.24 Å. The Cd(1)-Bi(1) bond length is 1.24 Å. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to two equivalent Au(1), one Cd(1), and one Bi(1) atom. The Cd(2)-Bi(1) bond length is 1.76 Å. Bi(1) is bonded in a single-bond geometry to two equivalent Au(1), one Cd(1), and one Cd(2) atom.