data_CuHgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.69
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHgIr2
_chemical_formula_sum   'Cu1 Hg1 Ir2'
_cell_volume   62.56
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.41  0.35  0.0  1.0
  Ir  Ir2  1  0.41  0.0  0.36  1.0
  Ir  Ir3  1  0.0  0.35  0.36  1.0

data_CuHgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.69
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuHgIr2
_chemical_formula_sum   'Cu1 Hg1 Ir2'
_cell_volume   62.56
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.41  0.35  -0.0  1.0
  Ir  Ir2  1  -0.0  0.35  0.36  1.0
  Ir  Ir3  1  0.41  0.0  0.36  1.0

Cu Hg Ir Ir
Cu Hg Ir Ir 0 2 - o o 0 2 o o o 0 1 - o o 0 1 o o o 0 3 o o o 1 3 o o o 1 3 + o o 1 2 o o o 2 3 o o o 2 3 + o o 
Ir2CuHg crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ir2CuHg cluster. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 1-coordinate geometry to one Cu(1) atom. The Ir(1)-Cu(1) bond length is 2.07 Å. In the second Ir site, Ir(2) is bonded in a 1-coordinate geometry to one Hg(1) atom. The Ir(2)-Hg(1) bond length is 2.07 Å. Cu(1) is bonded in a 2-coordinate geometry to one Ir(1) and one Hg(1) atom. The Cu(1)-Hg(1) bond length is 1.99 Å. Hg(1) is bonded in a 2-coordinate geometry to one Ir(2) and one Cu(1) atom.