data_Ba2NaLa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   5.77
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   94.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NaLa
_chemical_formula_sum   'Ba2 Na1 La1'
_cell_volume   196.52
_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  0.73  0.88  0.13  1.0
  Ba  Ba1  1  0.67  0.88  0.27  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  La  La2  1  0.67  0.0  0.2  1.0

data_Ba2NaLa
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   5.77
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   94.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NaLa
_chemical_formula_sum   'Ba2 Na1 La1'
_cell_volume   196.52
_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  0.67  0.88  0.27  1.0
  Ba  Ba1  1  0.73  0.88  0.13  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  La  La3  1  0.67  0.0  0.2  1.0

Ba Ba Na La
Ba Ba Na La 0 3 o + o 0 2 + + o 1 3 o + o 