data_BaLa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26
_cell_length_b   6.94
_cell_length_c   2.74
_cell_angle_alpha   85.52
_cell_angle_beta   72.36
_cell_angle_gamma   22.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2
_chemical_formula_sum   'Ba1 La2'
_cell_volume   40.96
_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  0.0  0.0  0.0  1.0
  La  La1  1  0.22  0.46  0.5  1.0
  La  La2  1  0.22  0.46  0.16  1.0

data_BaLa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.44
_cell_length_b   2.74
_cell_length_c   6.94
_cell_angle_alpha   85.52
_cell_angle_beta   79.88
_cell_angle_gamma   63.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2
_chemical_formula_sum   'Ba1 La2'
_cell_volume   40.96
_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  0.0  0.0  0.0  1.0
  La  La1  1  0.5  0.72  0.32  1.0
  La  La2  1  0.84  0.38  0.32  1.0

Ba La La