data_KIr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   6.09
_cell_angle_alpha   102.52
_cell_angle_beta   102.52
_cell_angle_gamma   30.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIr2Ru
_chemical_formula_sum   'K1 Ir2 Ru1'
_cell_volume   82.9
_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
  K  K2  1  0.37  0.0  0.96  1.0
  Ir  Ir0  1  0.09  0.0  0.01  1.0
  Ir  Ir1  1  0.05  0.0  0.88  1.0
  Ru  Ru3  1  0.73  0.0  0.04  1.0

data_KIr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.24
_cell_length_c   6.09
_cell_angle_alpha   102.52
_cell_angle_beta   90.0
_cell_angle_gamma   105.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIr2Ru
_chemical_formula_sum   'K1 Ir2 Ru1'
_cell_volume   82.9
_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
  K  K0  1  0.0  0.63  0.04  1.0
  Ru  Ru1  1  0.0  0.27  0.96  1.0
  Ir  Ir2  1  0.0  0.91  0.99  1.0
  Ir  Ir3  1  0.0  0.95  0.12  1.0

K Ir Ir Ru
K Ir Ir Ru 0 2 o o o 0 1 o o + 0 3 o o + 1 2 o o - 1 3 - o o 2 3 - o + 
KRuIr2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KRuIr2 cluster. K(1) is bonded in a 3-coordinate geometry to one Ru(1), one Ir(1), and one Ir(2) atom. The K(1)-Ru(1) bond length is 1.83 Å. The K(1)-Ir(1) bond length is 1.55 Å. The K(1)-Ir(2) bond length is 1.66 Å. Ru(1) is bonded in a single-bond geometry to one K(1) atom. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted L-shaped geometry to one K(1) and one Ir(2) atom. The Ir(1)-Ir(2) bond length is 0.78 Å. In the second Ir site, Ir(2) is bonded in a distorted single-bond geometry to one K(1) and one Ir(1) atom.