data_LiLaGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.94
_cell_angle_alpha   111.36
_cell_angle_beta   111.36
_cell_angle_gamma   57.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaGa2
_chemical_formula_sum   'Li1 La1 Ga2'
_cell_volume   88.3
_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
  La  La2  1  0.61  0.0  0.7  1.0
  Ga  Ga0  1  0.14  0.0  0.64  1.0
  Ga  Ga1  1  0.08  0.0  0.76  1.0

data_LiLaGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.39
_cell_length_c   5.94
_cell_angle_alpha   111.36
_cell_angle_beta   90.0
_cell_angle_gamma   118.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaGa2
_chemical_formula_sum   'Li1 La1 Ga2'
_cell_volume   88.3
_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
  La  La1  1  0.0  0.39  0.3  1.0
  Ga  Ga2  1  0.0  0.86  0.36  1.0
  Ga  Ga3  1  0.0  0.92  0.24  1.0

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