data_LiTiGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   146.12
_cell_angle_beta   128.26
_cell_angle_gamma   63.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiGa
_chemical_formula_sum   'Li1 Ti1 Ga1'
_cell_volume   47.66
_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  Li1  1  0.0  0.0  0.41  1.0
  Ti  Ti2  1  0.0  0.0  0.78  1.0
  Ga  Ga0  1  0.0  0.0  0.13  1.0

data_LiTiGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.18
_cell_length_c   4.79
_cell_angle_alpha   115.87
_cell_angle_beta   106.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiGa
_chemical_formula_sum   'Li1 Ti1 Ga1'
_cell_volume   47.66
_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  0.41  0.41  1.0
  Ti  Ti1  1  0.0  0.78  0.78  1.0
  Ga  Ga2  1  0.0  0.13  0.13  1.0

Li Ti Ga
Li Ti Ga 0 2 o o o 0 1 o o o 1 2 o o + 