data_TiHg2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.5
_cell_length_b   9.5
_cell_length_c   9.5
_cell_angle_alpha   18.26
_cell_angle_beta   18.26
_cell_angle_gamma   18.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiHg2Ir
_chemical_formula_sum   'Ti1 Hg2 Ir1'
_cell_volume   73.45
_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
  Hg  Hg0  1  0.0  0.0  0.97  1.0
  Hg  Hg1  1  0.0  0.0  0.04  1.0
  Ir  Ir2  1  0.0  0.0  0.01  1.0

data_TiHg2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.22
_cell_length_b   3.01
_cell_length_c   9.5
_cell_angle_alpha   90.0
_cell_angle_beta   100.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiHg2Ir
_chemical_formula_sum   'Ti2 Hg4 Ir2'
_cell_volume   146.9
_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
  Ti  Ti0  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.03  1.0
  Hg  Hg2  2  0.0  0.0  0.96  1.0
  Ir  Ir3  2  0.0  0.0  0.99  1.0

Ti Hg Hg Ir
TiIrHg2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiIrHg2 clusters. Ti(1) is bonded in a linear geometry to one Ir(1) and one Hg(1) atom. The Ti(1)-Ir(1) bond length is 0.05 Å. The Ti(1)-Hg(1) bond length is 0.28 Å. Ir(1) is bonded in a linear geometry to one Ti(1) and one Hg(2) atom. The Ir(1)-Hg(2) bond length is 0.33 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a single-bond geometry to one Ti(1) atom. In the second Hg site, Hg(2) is bonded in a single-bond geometry to one Ir(1) atom.