data_IrRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   99.59
_cell_angle_beta   99.59
_cell_angle_gamma   33.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrRu3
_chemical_formula_sum   'Ir1 Ru3'
_cell_volume   56.34
_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
  Ir  Ir0  1  0.09  0.0  0.31  1.0
  Ru  Ru1  1  0.54  0.0  0.15  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.64  0.0  0.47  1.0

data_IrRu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   99.59
_cell_angle_beta   90.0
_cell_angle_gamma   106.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrRu3
_chemical_formula_sum   'Ir1 Ru3'
_cell_volume   56.34
_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
  Ru  Ru0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.36  0.53  1.0
  Ru  Ru2  1  0.0  0.46  0.85  1.0
  Ir  Ir3  1  0.0  0.91  0.69  1.0

Ir Ru Ru Ru
(Ru)2RuIr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ru cluster and one RuIr cluster. In the Ru cluster, there are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted single-bond geometry to one Ru(3) atom. The Ru(1)-Ru(3) bond length is 1.49 Å. In the second Ru site, Ru(3) is bonded in a distorted single-bond geometry to one Ru(1) atom. In the RuIr cluster, Ru(2) is bonded in a distorted single-bond geometry to one Ir(1) atom. The Ru(2)-Ir(1) bond length is 1.46 Å. Ir(1) is bonded in a distorted single-bond geometry to one Ru(2) atom.