data_LiGa2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41
_cell_length_b   8.41
_cell_length_c   8.41
_cell_angle_alpha   19.48
_cell_angle_beta   19.48
_cell_angle_gamma   19.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGa2Co
_chemical_formula_sum   'Li1 Ga2 Co1'
_cell_volume   57.79
_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  0.0  0.0  0.05  1.0
  Ga  Ga2  1  0.0  0.0  0.69  1.0
  Co  Co0  1  0.0  0.0  0.37  1.0

data_LiGa2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   2.84
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   101.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiGa2Co
_chemical_formula_sum   'Li2 Ga4 Co2'
_cell_volume   115.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  -0.0  0.0  0.31  1.0
  Ga  Ga2  2  -0.0  0.0  0.95  1.0
  Co  Co3  2  -0.0  0.0  0.63  1.0

Li Ga Ga Co
Li Ga Ga Co 0 1 o o o 0 2 o o - 0 3 o o o 1 2 o o - 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
LiCoGa2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a single-bond geometry to one Ga(1) and one Ga(2) atom. The Li(1)-Ga(1) bond length is 0.44 Å. The Li(1)-Ga(2) bond length is 2.64 Å. Co(1) is bonded to six equivalent Co(1), one Ga(1), and one Ga(2) atom to form a mixture of distorted edge and corner-sharing CoGa2Co6 hexagonal bipyramids. All Co(1)-Co(1) bond lengths are 2.84 Å. The Co(1)-Ga(1) bond length is 2.66 Å. The Co(1)-Ga(2) bond length is 2.66 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a single-bond geometry to one Li(1) and one Co(1) atom. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to one Li(1), one Co(1), and six equivalent Ga(2) atoms. All Ga(2)-Ga(2) bond lengths are 2.84 Å.