data_BaLa2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   4.64
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Ti
_chemical_formula_sum   'Ba1 La2 Ti1'
_cell_volume   141.95
_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  0.77  0.32  0.9  1.0
  La  La1  1  0.01  0.0  0.44  1.0
  La  La2  1  0.84  0.32  0.31  1.0
  Ti  Ti3  1  0.67  0.0  0.65  1.0

data_BaLa2Ti
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.64
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Ti
_chemical_formula_sum   'Ba1 La2 Ti1'
_cell_volume   141.95
_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  0.77  0.32  0.9  1.0
  La  La1  1  0.01  0.0  0.44  1.0
  La  La2  1  0.84  0.32  0.31  1.0
  Ti  Ti3  1  0.67  0.0  0.65  1.0

Ba La La Ti