data_Li2AlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   137.56
_cell_angle_beta   132.98
_cell_angle_gamma   65.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AlGa
_chemical_formula_sum   'Li2 Al1 Ga1'
_cell_volume   63.38
_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  0.83  0.0  0.18  1.0
  Li  Li3  1  0.0  0.02  0.09  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.27  1.0

data_Li2AlGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.04
_cell_length_c   5.07
_cell_angle_alpha   113.51
_cell_angle_beta   111.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AlGa
_chemical_formula_sum   'Li2 Al1 Ga1'
_cell_volume   63.38
_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  0.18  0.34  1.0
  Li  Li1  1  0.98  0.07  0.07  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.0  0.27  0.27  1.0

Li Li Al Ga
Li Li Al Ga 0 3 + o o 1 2 o o o 