data_BaLa2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   5.93
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   95.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Pb
_chemical_formula_sum   'Ba1 La2 Pb1'
_cell_volume   146.63
_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  0.56  0.97  0.86  1.0
  La  La2  1  0.54  0.97  0.68  1.0
  Pb  Pb3  1  0.55  0.0  0.27  1.0

data_BaLa2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   5.93
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   95.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Pb
_chemical_formula_sum   'Ba1 La2 Pb1'
_cell_volume   146.63
_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  0.54  0.97  0.68  1.0
  La  La2  1  0.56  0.97  0.86  1.0
  Pb  Pb3  1  0.55  0.0  0.27  1.0

Ba La La Pb
Ba La La Pb 0 1 - - - 0 3 o o o 0 3 - o o 1 2 o o o 1 3 o + + 2 3 o + o 