data_MnIrRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   2.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIrRu2
_chemical_formula_sum   'Mn1 Ir1 Ru2'
_cell_volume   53.76
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.66  0.0  0.0  1.0
  Ru  Ru2  1  0.33  0.88  0.34  1.0
  Ru  Ru3  1  0.33  0.12  0.34  1.0

data_MnIrRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   109.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIrRu2
_chemical_formula_sum   'Mn1 Ir1 Ru2'
_cell_volume   53.76
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.66  0.0  1.0
  Ru  Ru2  1  0.34  0.33  0.12  1.0
  Ru  Ru3  1  0.34  0.33  0.88  1.0

Mn Ir Ru Ru
Mn Ir Ru Ru 0 1 - o o 0 3 o o o 1 2 o - o 2 3 o + o 
MnRu2Ir crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MnRu2Ir cluster. Mn(1) is bonded in a 2-coordinate geometry to one Ru(2) and one Ir(1) atom. The Mn(1)-Ru(2) bond length is 1.70 Å. The Mn(1)-Ir(1) bond length is 1.55 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted single-bond geometry to one Ru(2) atom. The Ru(1)-Ru(2) bond length is 1.06 Å. In the second Ru site, Ru(2) is bonded in a distorted L-shaped geometry to one Mn(1) and one Ru(1) atom. Ir(1) is bonded in a distorted single-bond geometry to one Mn(1) atom.