data_LaIrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   142.49
_cell_angle_beta   142.49
_cell_angle_gamma   54.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIrRu
_chemical_formula_sum   'La1 Ir1 Ru1'
_cell_volume   63.41
_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
  La  La1  1  0.0  0.0  0.55  1.0
  Ir  Ir0  1  0.0  0.0  0.43  1.0
  Ru  Ru2  1  0.0  0.0  0.84  1.0

data_LaIrRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   117.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaIrRu
_chemical_formula_sum   'La2 Ir2 Ru2'
_cell_volume   126.82
_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
  La  La0  2  0.05  0.5  0.55  1.0
  Ru  Ru1  2  0.34  0.5  0.84  1.0
  Ir  Ir2  2  0.43  0.0  0.43  1.0

La Ir Ru
La Ir Ru 0 1 o o o 0 2 o o o 
LaRuIr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LaRuIr clusters. La(1) is bonded in a distorted linear geometry to one Ru(1) and one Ir(1) atom. The La(1)-Ru(1) bond length is 1.60 Å. The La(1)-Ir(1) bond length is 0.63 Å. Ru(1) is bonded in a single-bond geometry to one La(1) atom. Ir(1) is bonded in a single-bond geometry to one La(1) atom.