data_Li2InIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2InIr
_chemical_formula_sum   'Li2 In1 Ir1'
_cell_volume   64.36
_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  Li2  1  0.0  0.0  0.14  1.0
  Li  Li3  1  0.6  0.6  0.4  1.0
  In  In0  1  0.0  0.0  0.25  1.0
  Ir  Ir1  1  0.6  0.6  0.84  1.0

data_Li2InIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2InIr
_chemical_formula_sum   'Li4 In2 Ir2'
_cell_volume   128.71
_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  0.0  0.0  0.14  1.0
  Li  Li1  2  0.1  0.5  0.4  1.0
  In  In2  2  0.0  0.0  0.25  1.0
  Ir  Ir3  2  0.1  0.5  0.84  1.0

Li Li In Ir
Li2IrIn crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to three equivalent Ir(1) and one In(1) atom. There is one shorter (2.61 Å) and two longer (2.99 Å) Li(1)-Ir(1) bond lengths. The Li(1)-In(1) bond length is 0.67 Å. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one Ir(1) and four equivalent In(1) atoms. The Li(2)-Ir(1) bond length is 2.76 Å. There are a spread of Li(2)-In(1) bond distances ranging from 2.02-2.89 Å. Ir(1) is bonded in a 4-coordinate geometry to one Li(2) and three equivalent Li(1) atoms. In(1) is bonded in a single-bond geometry to one Li(1) and four equivalent Li(2) atoms.