data_Li2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2In
_chemical_formula_sum   'Li8 In4'
_cell_volume   293.95
_cell_formula_units_Z   4
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  Li4  1  0.86  0.19  0.79  1.0
  Li  Li5  1  0.79  0.46  0.86  1.0
  Li  Li6  1  0.19  0.79  0.86  1.0
  Li  Li7  1  0.46  0.86  0.79  1.0
  Li  Li8  1  0.79  0.86  0.19  1.0
  Li  Li9  1  0.86  0.79  0.46  1.0
  Li  Li10  1  0.46  0.46  0.46  1.0
  Li  Li11  1  0.19  0.19  0.19  1.0
  In  In0  1  0.32  0.0  0.32  1.0
  In  In1  1  0.0  0.32  0.32  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.32  0.32  0.0  1.0

data_Li2In
_symmetry_space_group_name_H-M   R3
_cell_length_a   9.4
_cell_length_b   9.4
_cell_length_c   11.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Li2In
_chemical_formula_sum   'Li24 In12'
_cell_volume   881.86
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.08  0.84  0.7  1.0
  Li  Li1  9  0.17  0.42  0.61  1.0
  Li  Li2  3  0.0  0.0  0.19  1.0
  Li  Li3  3  0.0  0.0  0.46  1.0
  In  In4  9  0.11  0.89  0.22  1.0
  In  In5  3  0.0  0.0  0.0  1.0

Li Li Li Li Li Li Li Li In In In In
Li2In crystallizes in the trigonal R3 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to one Li(2) and one In(2) atom. The Li(1)-Li(2) bond length is 1.96 Å. The Li(1)-In(2) bond length is 2.10 Å. In the second Li site, Li(2) is bonded in a distorted L-shaped geometry to one Li(1) and one In(1) atom. The Li(2)-In(1) bond length is 3.33 Å. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to three equivalent In(1) atoms. All Li(3)-In(1) bond lengths are 3.33 Å. In the fourth Li site, Li(4) is bonded in a distorted tetrahedral geometry to one In(2) and three equivalent In(1) atoms. The Li(4)-In(2) bond length is 2.16 Å. All Li(4)-In(1) bond lengths are 1.79 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a single-bond geometry to one Li(2), one Li(3), and one Li(4) atom. In the second In site, In(2) is bonded in a tetrahedral geometry to one Li(4) and three equivalent Li(1) atoms.