data_HgIrRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   151.36
_cell_angle_beta   131.1
_cell_angle_gamma   57.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgIrRu2
_chemical_formula_sum   'Hg1 Ir1 Ru2'
_cell_volume   64.99
_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
  Hg  Hg0  1  0.0  0.0  0.96  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.34  0.73  1.0
  Ru  Ru3  1  0.4  0.0  0.22  1.0

data_HgIrRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.68
_cell_length_c   5.66
_cell_angle_alpha   114.45
_cell_angle_beta   104.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgIrRu2
_chemical_formula_sum   'Hg1 Ir1 Ru2'
_cell_volume   64.99
_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
  Hg  Hg0  1  0.0  0.96  0.96  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.22  0.82  1.0
  Ru  Ru3  1  0.66  0.39  0.39  1.0

Hg Ir Ru Ru
Ru2IrHg crystallizes in the triclinic P1 space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 6-coordinate geometry to one Ru(2), two equivalent Ru(1), two equivalent Ir(1), and one Hg(1) atom. The Ru(1)-Ru(2) bond length is 2.82 Å. Both Ru(1)-Ru(1) bond lengths are 2.80 Å. There is one shorter (2.51 Å) and one longer (2.62 Å) Ru(1)-Ir(1) bond length. The Ru(1)-Hg(1) bond length is 3.10 Å. In the second Ru site, Ru(2) is bonded in a 1-coordinate geometry to one Ru(1) and one Hg(1) atom. The Ru(2)-Hg(1) bond length is 1.70 Å. Ir(1) is bonded in a single-bond geometry to two equivalent Ru(1) and one Hg(1) atom. The Ir(1)-Hg(1) bond length is 0.24 Å. Hg(1) is bonded in a single-bond geometry to one Ru(1), one Ru(2), and one Ir(1) atom.