data_LiGa2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   7.4
_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   58.08
_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  0.0  1.0
  Ga  Ga0  1  0.4  0.4  0.3  1.0
  Ga  Ga1  1  0.4  0.4  0.1  1.0
  Ni  Ni3  1  0.0  0.0  0.7  1.0

data_LiGa2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   7.4
_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   116.15
_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  0.4  0.0  0.1  1.0
  Ga  Ga2  2  0.4  0.0  0.3  1.0
  Ni  Ni3  2  0.0  0.0  0.7  1.0

Li Ga Ga Ni
Li Ga Ga Ni 0 2 - o o 0 2 o - o 0 2 o o o 0 3 o o - 1 2 o o o 3 3 + o o 3 3 o + o 