data_TiCdBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.95
_cell_angle_alpha   100.66
_cell_angle_beta   100.66
_cell_angle_gamma   33.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCdBi2
_chemical_formula_sum   'Ti1 Cd1 Bi2'
_cell_volume   103.72
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.82  0.0  0.92  1.0
  Bi  Bi0  1  0.11  0.0  0.53  1.0
  Bi  Bi1  1  0.53  0.0  0.3  1.0

data_TiCdBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.64
_cell_length_c   5.95
_cell_angle_alpha   100.66
_cell_angle_beta   90.0
_cell_angle_gamma   106.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCdBi2
_chemical_formula_sum   'Ti1 Cd1 Bi2'
_cell_volume   103.72
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.18  0.08  1.0
  Bi  Bi2  1  0.0  0.47  0.7  1.0
  Bi  Bi3  1  0.0  0.89  0.47  1.0

Ti Cd Bi Bi
Ti Cd Bi Bi 0 1 - o - 0 2 o o o 0 2 o o - 0 3 o o o 0 3 - o o 1 2 + o o 1 3 o o + 1 3 o o o 2 3 - o o 2 3 o o o 2 2 + - o 3 3 + - o 
TiCdBi2 crystallizes in the triclinic P1 space group. Ti(1) is bonded in a single-bond geometry to one Cd(1), one Bi(2), and two equivalent Bi(1) atoms. The Ti(1)-Cd(1) bond length is 1.02 Å. The Ti(1)-Bi(2) bond length is 3.21 Å. There is one shorter (2.97 Å) and one longer (3.12 Å) Ti(1)-Bi(1) bond length. Cd(1) is bonded in a single-bond geometry to one Ti(1), one Bi(1), and one Bi(2) atom. The Cd(1)-Bi(1) bond length is 3.06 Å. The Cd(1)-Bi(2) bond length is 3.06 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to two equivalent Ti(1), one Cd(1), two equivalent Bi(1), and two equivalent Bi(2) atoms. Both Bi(1)-Bi(1) bond lengths are 3.29 Å. There is one shorter (2.93 Å) and one longer (3.32 Å) Bi(1)-Bi(2) bond length. In the second Bi site, Bi(2) is bonded in a 2-coordinate geometry to one Ti(1), one Cd(1), and two equivalent Bi(1) atoms.