data_LiLaIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   131.5
_cell_angle_beta   127.15
_cell_angle_gamma   74.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaIr2
_chemical_formula_sum   'Li1 La1 Ir2'
_cell_volume   76.82
_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  Li3  1  0.0  0.0  0.99  1.0
  La  La2  1  0.0  0.27  0.09  1.0
  Ir  Ir0  1  0.0  0.27  0.78  1.0
  Ir  Ir1  1  0.0  0.0  0.3  1.0

data_LiLaIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.53
_cell_length_c   5.09
_cell_angle_alpha   116.42
_cell_angle_beta   114.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaIr2
_chemical_formula_sum   'Li1 La1 Ir2'
_cell_volume   76.82
_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  Li0  1  0.0  0.99  0.99  1.0
  La  La1  1  0.73  0.82  0.82  1.0
  Ir  Ir2  1  0.0  0.3  0.3  1.0
  Ir  Ir3  1  0.73  0.51  0.51  1.0

Li La Ir Ir
Li La Ir Ir 0 1 o o + 0 3 o o + 1 2 o o - 2 3 o o o 
LiLaIr2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiLaIr2 cluster. Li(1) is bonded in a water-like geometry to one La(1) and one Ir(2) atom. The Li(1)-La(1) bond length is 1.08 Å. The Li(1)-Ir(2) bond length is 1.60 Å. La(1) is bonded in a water-like geometry to one Li(1) and one Ir(1) atom. The La(1)-Ir(1) bond length is 1.61 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to one La(1) atom. In the second Ir site, Ir(2) is bonded in a single-bond geometry to one Li(1) atom.