data_BaLa2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.43
_cell_angle_alpha   97.75
_cell_angle_beta   97.75
_cell_angle_gamma   34.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Pb
_chemical_formula_sum   'Ba1 La2 Pb1'
_cell_volume   146.21
_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  0.06  0.0  0.73  1.0
  La  La1  1  0.19  0.0  0.22  1.0
  La  La2  1  0.26  0.0  0.68  1.0
  Pb  Pb3  1  0.66  0.0  0.28  1.0

data_BaLa2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   6.37
_cell_length_c   6.43
_cell_angle_alpha   97.75
_cell_angle_beta   90.0
_cell_angle_gamma   107.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Pb
_chemical_formula_sum   'Ba1 La2 Pb1'
_cell_volume   146.21
_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  0.94  0.27  1.0
  La  La1  1  0.0  0.74  0.32  1.0
  La  La2  1  0.0  0.81  0.78  1.0
  Pb  Pb3  1  0.0  0.34  0.72  1.0

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