data_BaLaGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaGa
_chemical_formula_sum   'Ba1 La1 Ga1'
_cell_volume   100.83
_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
  Ba  Ba0  1  1.0  0.06  0.03  1.0
  La  La2  1  0.65  0.53  0.52  1.0
  Ga  Ga1  1  0.0  0.0  0.58  1.0

data_BaLaGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaGa
_chemical_formula_sum   'Ba1 La1 Ga1'
_cell_volume   100.83
_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
  Ba  Ba0  1  0.03  1.0  0.06  1.0
  La  La1  1  0.52  0.65  0.53  1.0
  Ga  Ga2  1  0.58  0.0  0.0  1.0

Ba La Ga
Ba La Ga 0 2 + o - 0 2 + o o 1 2 + + o 