data_LiInCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   3.08
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInCo2
_chemical_formula_sum   'Li1 In1 Co2'
_cell_volume   55.66
_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  Li3  1  0.43  0.0  0.76  1.0
  In  In2  1  0.96  0.54  0.0  1.0
  Co  Co0  1  0.97  0.54  0.11  1.0
  Co  Co1  1  0.47  0.0  0.24  1.0

data_LiInCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   3.08
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInCo2
_chemical_formula_sum   'Li1 In1 Co2'
_cell_volume   55.66
_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  0.43  0.0  0.76  1.0
  In  In1  1  0.96  0.54  0.0  1.0
  Co  Co2  1  0.47  0.0  0.24  1.0
  Co  Co3  1  0.97  0.54  0.11  1.0

Li In Co Co
LiCo2In crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to two equivalent Co(2) and four equivalent In(1) atoms. There is one shorter (2.88 Å) and one longer (3.21 Å) Li(1)-Co(2) bond length. There are a spread of Li(1)-In(1) bond distances ranging from 2.46-2.70 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to four equivalent Co(2) and one In(1) atom. There are two shorter (2.19 Å) and two longer (2.35 Å) Co(1)-Co(2) bond lengths. The Co(1)-In(1) bond length is 0.68 Å. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to two equivalent Li(1) and four equivalent Co(1) atoms. In(1) is bonded in a single-bond geometry to four equivalent Li(1) and one Co(1) atom.