data_Ba2BiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22
_cell_length_b   7.22
_cell_length_c   7.22
_cell_angle_alpha   142.7
_cell_angle_beta   134.96
_cell_angle_gamma   59.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BiPb
_chemical_formula_sum   'Ba2 Bi1 Pb1'
_cell_volume   159.92
_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  0.77  0.2  1.0
  Ba  Ba1  1  0.0  0.0  0.24  1.0
  Bi  Bi2  1  0.0  0.77  0.35  1.0
  Pb  Pb3  1  0.0  0.0  0.98  1.0

data_Ba2BiPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.62
_cell_length_b   5.53
_cell_length_c   7.22
_cell_angle_alpha   112.52
_cell_angle_beta   108.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BiPb
_chemical_formula_sum   'Ba2 Bi1 Pb1'
_cell_volume   159.92
_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  0.76  0.76  0.76  1.0
  Ba  Ba1  1  0.8  0.57  0.57  1.0
  Bi  Bi2  1  0.65  0.42  0.42  1.0
  Pb  Pb3  1  0.02  0.02  0.02  1.0

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