data_Cd2BiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BiIr
_chemical_formula_sum   'Cd2 Bi1 Ir1'
_cell_volume   90.89
_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  0.61  0.61  0.09  1.0
  Cd  Cd2  1  0.61  0.61  0.66  1.0
  Bi  Bi0  1  0.0  0.0  0.37  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0

data_Cd2BiIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2BiIr
_chemical_formula_sum   'Cd4 Bi2 Ir2'
_cell_volume   181.77
_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  2  0.11  0.5  0.09  1.0
  Cd  Cd1  2  0.11  0.5  0.66  1.0
  Bi  Bi2  2  0.0  0.0  0.37  1.0
  Ir  Ir3  2  0.0  0.0  0.0  1.0

Cd Cd Bi Ir
IrCd2Bi crystallizes in the monoclinic Cm space group. Ir(1) is bonded in a 1-coordinate geometry to one Cd(1), one Cd(2), and one Bi(1) atom. The Ir(1)-Cd(1) bond length is 1.93 Å. The Ir(1)-Cd(2) bond length is 3.49 Å. The Ir(1)-Bi(1) bond length is 3.26 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 1-coordinate geometry to one Ir(1) and three equivalent Bi(1) atoms. There is one shorter (3.04 Å) and two longer (3.41 Å) Cd(1)-Bi(1) bond lengths. In the second Cd site, Cd(2) is bonded in a 8-coordinate geometry to one Ir(1), four equivalent Cd(2), and three equivalent Bi(1) atoms. All Cd(2)-Cd(2) bond lengths are 3.22 Å. There is one shorter (3.04 Å) and two longer (3.41 Å) Cd(2)-Bi(1) bond lengths. Bi(1) is bonded in a 11-coordinate geometry to one Ir(1), three equivalent Cd(1), three equivalent Cd(2), and four equivalent Bi(1) atoms. All Bi(1)-Bi(1) bond lengths are 3.22 Å.