data_Li2IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   2.62
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2IrRu
_chemical_formula_sum   'Li2 Ir1 Ru1'
_cell_volume   55.14
_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
  Li  Li1  1  0.36  0.0  0.76  1.0
  Li  Li2  1  0.36  0.0  0.29  1.0
  Ir  Ir0  1  0.0  0.0  0.53  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Li2IrRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.62
_cell_length_b   4.65
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2IrRu
_chemical_formula_sum   'Li4 Ir2 Ru2'
_cell_volume   110.38
_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
  Li  Li0  2  0.36  0.0  0.29  1.0
  Li  Li1  2  0.36  0.0  0.76  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  0.0  0.0  0.53  1.0

Li Li Ir Ru
Li2RuIr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Li2RuIr cluster. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one Ru(1) and one Ir(1) atom. The Li(1)-Ru(1) bond length is 2.35 Å. The Li(1)-Ir(1) bond length is 2.33 Å. In the second Li site, Li(2) is bonded in a 1-coordinate geometry to one Ir(1) atom. The Li(2)-Ir(1) bond length is 2.33 Å. Ru(1) is bonded in a 1-coordinate geometry to one Li(1) atom. Ir(1) is bonded in a 2-coordinate geometry to one Li(1) and one Li(2) atom.