data_LiIn2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   145.39
_cell_angle_beta   132.35
_cell_angle_gamma   60.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIn2Ni
_chemical_formula_sum   'Li1 In2 Ni1'
_cell_volume   70.47
_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  0.07  1.0
  In  In0  1  0.0  0.0  0.31  1.0
  In  In1  1  0.65  0.0  0.38  1.0
  Ni  Ni3  1  0.0  0.24  0.38  1.0

data_LiIn2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.47
_cell_length_c   5.53
_cell_angle_alpha   113.82
_cell_angle_beta   107.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIn2Ni
_chemical_formula_sum   'Li1 In2 Ni1'
_cell_volume   70.47
_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  0.07  0.07  1.0
  In  In1  1  0.0  0.31  0.31  1.0
  In  In2  1  0.0  0.38  0.74  1.0
  Ni  Ni3  1  0.76  0.15  0.15  1.0

Li In In Ni
Li In In Ni 0 3 o o o 0 2 o o o 0 2 - o - 1 3 o o o 1 2 - o o 2 3 + o o 
LiNiIn2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 1-coordinate geometry to two equivalent Ni(1), one In(1), and two equivalent In(2) atoms. There is one shorter (0.99 Å) and one longer (2.43 Å) Li(1)-Ni(1) bond length. The Li(1)-In(1) bond length is 1.31 Å. There is one shorter (2.73 Å) and one longer (2.88 Å) Li(1)-In(2) bond length. Ni(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one In(1) atom. The Ni(1)-In(1) bond length is 0.99 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 2-coordinate geometry to one Li(1), one Ni(1), and one In(2) atom. The In(1)-In(2) bond length is 2.26 Å. In the second In site, In(2) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one In(1) atom.