data_LiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.78
_cell_angle_alpha   114.03
_cell_angle_beta   114.03
_cell_angle_gamma   31.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIr
_chemical_formula_sum   'Li2 Ir2'
_cell_volume   55.37
_cell_formula_units_Z   2
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  Li2  1  0.58  0.0  0.16  1.0
  Li  Li3  1  1.0  0.0  0.17  1.0
  Ir  Ir0  1  0.3  0.0  0.25  1.0
  Ir  Ir1  1  0.28  0.0  0.08  1.0

data_LiIr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.67
_cell_length_b   4.78
_cell_length_c   4.98
_cell_angle_alpha   114.03
_cell_angle_beta   105.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiIr
_chemical_formula_sum   'Li2 Ir2'
_cell_volume   55.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.01  0.71  1.0
  Ir  Ir1  2  0.0  0.09  0.01  1.0

Li Li Ir Ir
LiIr crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one LiIr cluster. Li(1) is bonded in a distorted single-bond geometry to one Ir(1) atom. The Li(1)-Ir(1) bond length is 1.38 Å. Ir(1) is bonded in a distorted L-shaped geometry to one Li(1) and one Ir(1) atom. The Ir(1)-Ir(1) bond length is 0.81 Å.