data_BiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   5.79
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   91.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPb
_chemical_formula_sum   'Bi2 Pb2'
_cell_volume   143.88
_cell_formula_units_Z   2
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
  Bi  Bi0  1  0.62  0.45  0.21  1.0
  Bi  Bi1  1  0.11  0.34  0.12  1.0
  Pb  Pb2  1  0.22  0.45  0.82  1.0
  Pb  Pb3  1  0.51  0.34  0.52  1.0

data_BiPb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.93
_cell_length_b   5.79
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   91.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BiPb
_chemical_formula_sum   'Bi2 Pb2'
_cell_volume   143.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Bi  Bi0  2  0.25  0.05  0.04  1.0
  Pb  Pb1  2  0.15  0.95  0.35  1.0

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