data_LiAl2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   4.43
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl2Ga
_chemical_formula_sum   'Li1 Al2 Ga1'
_cell_volume   66.47
_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  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.21  0.3  1.0
  Al  Al1  1  0.63  0.0  0.3  1.0
  Ga  Ga2  1  0.63  0.21  0.0  1.0

data_LiAl2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.43
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl2Ga
_chemical_formula_sum   'Li1 Al2 Ga1'
_cell_volume   66.47
_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  0.0  0.0  1.0
  Al  Al1  1  -0.0  0.21  0.3  1.0
  Al  Al2  1  0.63  0.0  0.3  1.0
  Ga  Ga3  1  0.63  0.21  -0.0  1.0

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