data_TaHgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   135.65
_cell_angle_beta   134.52
_cell_angle_gamma   65.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHgIr2
_chemical_formula_sum   'Ta1 Hg1 Ir2'
_cell_volume   66.1
_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
  Ta  Ta3  1  0.0  0.0  0.34  1.0
  Hg  Hg0  1  0.93  0.0  0.17  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.98  0.11  1.0

data_TaHgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.96
_cell_length_c   5.12
_cell_angle_alpha   112.74
_cell_angle_beta   112.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHgIr2
_chemical_formula_sum   'Ta1 Hg1 Ir2'
_cell_volume   66.1
_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
  Ta  Ta0  1  0.0  0.34  0.34  1.0
  Hg  Hg1  1  0.0  0.17  0.24  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.02  0.13  0.13  1.0

Ta Hg Ir Ir
TaIr2Hg crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TaIr2Hg cluster. Ta(1) is bonded in a single-bond geometry to one Hg(1) atom. The Ta(1)-Hg(1) bond length is 0.68 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted single-bond geometry to one Ir(2) atom. The Ir(1)-Ir(2) bond length is 0.62 Å. In the second Ir site, Ir(2) is bonded in a distorted single-bond geometry to one Ir(1) and one Hg(1) atom. The Ir(2)-Hg(1) bond length is 0.56 Å. Hg(1) is bonded in a distorted bent 120 degrees geometry to one Ta(1) and one Ir(2) atom.