data_LiGa2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   3.29
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGa2Co
_chemical_formula_sum   'Li1 Ga2 Co1'
_cell_volume   52.55
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.41  0.64  0.16  1.0
  Ga  Ga2  1  0.41  0.64  0.51  1.0
  Co  Co0  1  0.0  0.0  0.83  1.0

data_LiGa2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.29
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGa2Co
_chemical_formula_sum   'Li1 Ga2 Co1'
_cell_volume   52.55
_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
  Ga  Ga1  1  0.41  0.64  0.16  1.0
  Ga  Ga2  1  0.41  0.64  0.51  1.0
  Co  Co3  1  0.0  0.0  0.83  1.0

Li Ga Ga Co
Li Ga Ga Co 0 3 o o - 0 1 o - o 0 1 - - o 1 2 o o o 
LiCoGa2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted single-bond geometry to one Co(1) and four equivalent Ga(1) atoms. The Li(1)-Co(1) bond length is 0.95 Å. There are a spread of Li(1)-Ga(1) bond distances ranging from 1.87-2.83 Å. Co(1) is bonded in a single-bond geometry to one Li(1) and one Ga(2) atom. The Co(1)-Ga(2) bond length is 2.47 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one Ga(2) atom. The Ga(1)-Ga(2) bond length is 1.98 Å. In the second Ga site, Ga(2) is bonded in a 2-coordinate geometry to one Co(1) and one Ga(1) atom.