data_ReIr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   131.33
_cell_angle_beta   131.33
_cell_angle_gamma   71.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReIr2Ru
_chemical_formula_sum   'Re1 Ir2 Ru1'
_cell_volume   57.72
_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
  Re  Re2  1  0.0  0.94  0.91  1.0
  Ir  Ir0  1  0.94  0.0  0.91  1.0
  Ir  Ir1  1  0.0  0.0  0.83  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_ReIr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   4.71
_cell_angle_alpha   114.34
_cell_angle_beta   114.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReIr2Ru
_chemical_formula_sum   'Re1 Ir2 Ru1'
_cell_volume   57.72
_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
  Re  Re0  1  0.03  0.94  0.03  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.09  0.0  0.03  1.0
  Ir  Ir3  1  0.17  0.0  0.17  1.0

Re Ir Ir Ru
ReRuIr2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ReRuIr2 cluster. Re(1) is bonded in a 3-coordinate geometry to one Ru(1), one Ir(1), and one Ir(2) atom. The Re(1)-Ru(1) bond length is 0.30 Å. The Re(1)-Ir(1) bond length is 0.32 Å. The Re(1)-Ir(2) bond length is 0.62 Å. Ru(1) is bonded in a 2-coordinate geometry to one Re(1) and one Ir(1) atom. The Ru(1)-Ir(1) bond length is 0.30 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted single-bond geometry to one Re(1), one Ru(1), and 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 2-coordinate geometry to one Re(1) and one Ir(1) atom.