data_Cd2BiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BiSb
_chemical_formula_sum   'Cd2 Bi1 Sb1'
_cell_volume   108.82
_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  0.19  0.0  0.93  1.0
  Cd  Cd2  1  0.19  0.0  0.2  1.0
  Bi  Bi0  1  0.0  0.0  0.57  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_Cd2BiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BiSb
_chemical_formula_sum   'Cd2 Bi1 Sb1'
_cell_volume   108.82
_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  0.19  0.0  0.2  1.0
  Cd  Cd1  1  0.19  0.0  0.93  1.0
  Bi  Bi2  1  0.0  0.0  0.57  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Cd Cd Bi Sb
Cd2BiSb crystallizes in the triclinic P1 space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a single-bond geometry to one Bi(1) and one Sb(1) atom. The Cd(1)-Bi(1) bond length is 3.40 Å. The Cd(1)-Sb(1) bond length is 0.88 Å. In the second Cd site, Cd(2) is bonded in a distorted single-bond geometry to one Bi(1) and one Sb(1) atom. The Cd(2)-Bi(1) bond length is 3.40 Å. The Cd(2)-Sb(1) bond length is 1.97 Å. Bi(1) is bonded to one Cd(1), one Cd(2), and four equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing BiCd2Bi4 octahedra. The corner-sharing octahedra are not tilted. All Bi(1)-Bi(1) bond lengths are 3.49 Å. Sb(1) is bonded in a 1-coordinate geometry to one Cd(1) and one Cd(2) atom.