data_CdHgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.8
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgIr2
_chemical_formula_sum   'Cd1 Hg1 Ir2'
_cell_volume   69.25
_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
  Hg  Hg1  1  0.47  0.0  0.46  1.0
  Ir  Ir2  1  0.47  0.4  0.0  1.0
  Ir  Ir3  1  0.0  0.4  0.46  1.0

data_CdHgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.8
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgIr2
_chemical_formula_sum   'Cd1 Hg1 Ir2'
_cell_volume   69.25
_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
  Hg  Hg1  1  0.47  0.0  0.46  1.0
  Ir  Ir2  1  -0.0  0.4  0.46  1.0
  Ir  Ir3  1  0.47  0.4  -0.0  1.0

Cd Hg Ir Ir
Ir2HgCd crystallizes in the triclinic P1 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 2-coordinate geometry to two equivalent Hg(1) and two equivalent Cd(1) atoms. There is one shorter (2.97 Å) and one longer (3.27 Å) Ir(1)-Hg(1) bond length. There is one shorter (2.35 Å) and one longer (2.47 Å) Ir(1)-Cd(1) bond length. In the second Ir site, Ir(2) is bonded in a 2-coordinate geometry to four equivalent Hg(1) atoms. There are a spread of Ir(2)-Hg(1) bond distances ranging from 2.35-3.28 Å. Hg(1) is bonded in a 12-coordinate geometry to two equivalent Ir(1), four equivalent Ir(2), two equivalent Hg(1), and four equivalent Cd(1) atoms. Both Hg(1)-Hg(1) bond lengths are 2.93 Å. There are a spread of Hg(1)-Cd(1) bond distances ranging from 2.65-3.08 Å. Cd(1) is bonded in a 2-coordinate geometry to two equivalent Ir(1) and four equivalent Hg(1) atoms.