data_BPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPb
_chemical_formula_sum   'B2 Pb2'
_cell_volume   78.31
_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
  B  B0  1  0.63  0.63  0.0  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.63  0.0  1.0  1.0
  Pb  Pb3  1  0.0  0.63  0.4  1.0

data_BPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BPb
_chemical_formula_sum   'B4 Pb4'
_cell_volume   156.63
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  B  B0  4  0.31  0.31  0.0  1.0
  Pb  Pb1  2  0.0  0.0  0.4  1.0
  Pb  Pb2  2  0.13  0.5  1.0  1.0

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