data_LiMnIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   123.1
_cell_angle_beta   121.23
_cell_angle_gamma   86.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnIn2
_chemical_formula_sum   'Li1 Mn1 In2'
_cell_volume   74.18
_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  0.0  1.0
  Mn  Mn3  1  0.0  0.0  0.48  1.0
  In  In0  1  0.27  0.0  0.73  1.0
  In  In1  1  0.0  0.34  0.75  1.0

data_LiMnIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   4.68
_cell_length_c   4.77
_cell_angle_alpha   119.38
_cell_angle_beta   118.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnIn2
_chemical_formula_sum   'Li1 Mn1 In2'
_cell_volume   74.18
_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  0.0  0.0  1.0
  Mn  Mn1  1  0.52  0.52  0.52  1.0
  In  In2  1  0.25  0.59  0.59  1.0
  In  In3  1  0.54  0.27  0.54  1.0

Li Mn In In
LiMnIn2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one Mn(1), two equivalent In(1), and two equivalent In(2) atoms. The Li(1)-Mn(1) bond length is 2.30 Å. There is one shorter (2.25 Å) and one longer (3.01 Å) Li(1)-In(1) bond length. There is one shorter (2.49 Å) and one longer (2.68 Å) Li(1)-In(2) bond length. Mn(1) is bonded in a 3-coordinate geometry to one Li(1), one In(1), and one In(2) atom. The Mn(1)-In(1) bond length is 1.23 Å. The Mn(1)-In(2) bond length is 1.42 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted single-bond geometry to two equivalent Li(1) and one Mn(1) atom. In the second In site, In(2) is bonded in a distorted single-bond geometry to two equivalent Li(1) and one Mn(1) atom.