data_LiGa2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGa2Ni
_chemical_formula_sum   'Li1 Ga2 Ni1'
_cell_volume   55.12
_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  0.75  1.0
  Ga  Ga0  1  0.0  0.0  0.2  1.0
  Ga  Ga1  1  0.6  0.6  0.45  1.0
  Ni  Ni3  1  0.6  0.6  0.1  1.0

data_LiGa2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiGa2Ni
_chemical_formula_sum   'Li2 Ga4 Ni2'
_cell_volume   110.23
_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  0.75  1.0
  Ga  Ga1  2  0.0  0.0  0.2  1.0
  Ga  Ga2  2  0.1  0.5  0.45  1.0
  Ni  Ni3  2  0.1  0.5  0.1  1.0

Li Ga Ga Ni
Li Ga Ga Ni 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 3 - - + 0 3 - o + 0 3 o - + 0 1 o o o 0 1 o o + 1 3 - - o 1 3 - o o 1 3 o - o 1 2 - - o 2 3 o o o 
LiNiGa2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 9-coordinate geometry to three equivalent Ni(1), two equivalent Ga(1), and four equivalent Ga(2) atoms. There is one shorter (2.61 Å) and two longer (2.97 Å) Li(1)-Ni(1) bond lengths. There is one shorter (2.41 Å) and one longer (2.98 Å) Li(1)-Ga(1) bond length. There are a spread of Li(1)-Ga(2) bond distances ranging from 2.43-3.15 Å. Ni(1) is bonded in a 8-coordinate geometry to three equivalent Li(1), one Ga(2), and four equivalent Ga(1) atoms. The Ni(1)-Ga(2) bond length is 1.90 Å. There are a spread of Ni(1)-Ga(1) bond distances ranging from 1.90-2.76 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and four equivalent Ni(1) atoms. In the second Ga site, Ga(2) is bonded in a 4-coordinate geometry to four equivalent Li(1) and one Ni(1) atom.