data_BaLa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   6.39
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa
_chemical_formula_sum   'Ba2 La2'
_cell_volume   186.72
_cell_formula_units_Z   2
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  0.0  0.0  0.35  1.0
  Ba  Ba1  1  0.01  0.19  0.94  1.0
  La  La2  1  0.01  0.0  0.52  1.0
  La  La3  1  0.0  0.19  0.78  1.0

data_BaLa
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   6.39
_cell_length_b   4.01
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   BaLa
_chemical_formula_sum   'Ba2 La2'
_cell_volume   186.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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  2  0.1  0.0  0.8  1.0
  La  La1  2  0.1  0.0  0.63  1.0

Ba Ba La La
Ba Ba La La 0 2 o o o 1 3 o o o 