data_La2CuIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.3
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CuIr
_chemical_formula_sum   'La2 Cu1 Ir1'
_cell_volume   104.89
_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  La2  1  0.0  0.0  0.19  1.0
  La  La3  1  0.07  0.15  0.16  1.0
  Cu  Cu0  1  0.0  0.0  0.24  1.0
  Ir  Ir1  1  0.07  0.15  0.17  1.0

data_La2CuIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.3
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CuIr
_chemical_formula_sum   'La2 Cu1 Ir1'
_cell_volume   104.89
_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  La0  1  0.0  0.0  0.19  1.0
  La  La1  1  0.07  0.15  0.16  1.0
  Cu  Cu2  1  0.0  0.0  0.24  1.0
  Ir  Ir3  1  0.07  0.15  0.17  1.0

La La Cu Ir
La La Cu Ir 0 2 o o o 1 3 o o o 
La2IrCu crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one La2IrCu cluster. There are two inequivalent La sites. In the first La site, La(1) is bonded in a water-like geometry to one Ir(1) and one Cu(1) atom. The La(1)-Ir(1) bond length is 0.71 Å. The La(1)-Cu(1) bond length is 0.32 Å. In the second La site, La(2) is bonded in a single-bond geometry to one Ir(1) atom. The La(2)-Ir(1) bond length is 0.01 Å. Ir(1) is bonded in a distorted single-bond geometry to one La(1) and one La(2) atom. Cu(1) is bonded in a single-bond geometry to one La(1) atom.