data_TiHgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiHgIr2
_chemical_formula_sum   'Ti1 Hg1 Ir2'
_cell_volume   65.02
_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  0.94  0.0  0.0  1.0
  Ir  Ir1  1  0.47  0.22  0.56  1.0
  Ir  Ir2  1  0.47  0.78  0.56  1.0

data_TiHgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   100.86
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiHgIr2
_chemical_formula_sum   'Ti1 Hg1 Ir2'
_cell_volume   65.02
_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
  Hg  Hg1  1  0.0  0.94  0.0  1.0
  Ir  Ir2  1  0.56  0.47  0.22  1.0
  Ir  Ir3  1  0.56  0.47  0.78  1.0

Ti Hg Ir Ir
TiIr2Hg crystallizes in the triclinic P1 space group. Ti(1) is bonded in a single-bond geometry to two equivalent Ir(1), two equivalent Ir(2), and one Hg(1) atom. There is one shorter (2.60 Å) and one longer (2.81 Å) Ti(1)-Ir(1) bond length. There is one shorter (2.91 Å) and one longer (3.09 Å) Ti(1)-Ir(2) bond length. The Ti(1)-Hg(1) bond length is 0.29 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Ir(1), two equivalent Ir(2), and two equivalent Hg(1) atoms. Both Ir(1)-Ir(1) bond lengths are 3.12 Å. There is one shorter (2.06 Å) and one longer (2.55 Å) Ir(1)-Ir(2) bond length. There is one shorter (2.91 Å) and one longer (3.09 Å) Ir(1)-Hg(1) bond length. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Ir(1), two equivalent Ir(2), and two equivalent Hg(1) atoms. Both Ir(2)-Ir(2) bond lengths are 3.12 Å. There is one shorter (2.60 Å) and one longer (2.81 Å) Ir(2)-Hg(1) bond length. Hg(1) is bonded in a single-bond geometry to one Ti(1), two equivalent Ir(1), and two equivalent Ir(2) atoms.