data_LiGaCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54
_cell_length_b   3.98
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   102.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaCo2
_chemical_formula_sum   'Li1 Ga1 Co2'
_cell_volume   47.92
_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  0.78  0.0  0.53  1.0
  Ga  Ga2  1  0.81  0.99  0.41  1.0
  Co  Co0  1  0.05  0.99  0.09  1.0
  Co  Co1  1  0.61  0.0  0.07  1.0

data_LiGaCo2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.54
_cell_length_b   3.98
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   102.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiGaCo2
_chemical_formula_sum   'Li1 Ga1 Co2'
_cell_volume   47.92
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.78  0.0  0.53  1.0
  Ga  Ga1  1  0.81  0.0  0.41  1.0
  Co  Co2  1  0.05  0.0  0.09  1.0
  Co  Co3  1  0.61  0.0  0.07  1.0

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