data_IrRu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrRu2Cl
_chemical_formula_sum   'Ir1 Ru2 Cl1'
_cell_volume   62.56
_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  Ir1  1  0.39  0.39  0.35  1.0
  Ru  Ru2  1  0.0  0.0  0.14  1.0
  Ru  Ru3  1  0.39  0.39  0.93  1.0
  Cl  Cl0  1  0.0  0.0  0.65  1.0

data_IrRu2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   IrRu2Cl
_chemical_formula_sum   'Ir2 Ru4 Cl2'
_cell_volume   125.11
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.14  1.0
  Ir  Ir1  2  0.39  0.0  0.35  1.0
  Ru  Ru2  2  0.39  0.0  0.93  1.0
  Cl  Cl3  2  0.0  0.0  0.65  1.0

Ir Ru Ru Cl
Ru2IrCl crystallizes in the monoclinic Cm space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to four equivalent Ru(1), four equivalent Ru(2), and four equivalent Ir(1) atoms to form a mixture of distorted corner and face-sharing RuIr4Ru8 cuboctahedra. All Ru(1)-Ru(1) bond lengths are 2.79 Å. There are a spread of Ru(1)-Ru(2) bond distances ranging from 2.27-2.91 Å. There are a spread of Ru(1)-Ir(1) bond distances ranging from 2.29-2.93 Å. In the second Ru site, Ru(2) is bonded in a 1-coordinate geometry to four equivalent Ru(1) and three equivalent Cl(1) atoms. There is one shorter (2.77 Å) and two longer (3.05 Å) Ru(2)-Cl(1) bond lengths. Ir(1) is bonded in a 11-coordinate geometry to four equivalent Ru(1), four equivalent Ir(1), and three equivalent Cl(1) atoms. All Ir(1)-Ir(1) bond lengths are 2.79 Å. There is one shorter (2.87 Å) and two longer (3.14 Å) Ir(1)-Cl(1) bond lengths. Cl(1) is bonded in a 4-coordinate geometry to three equivalent Ru(2) and three equivalent Ir(1) atoms.