data_BPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_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   'B4 Pb4'
_cell_volume   148.3
_cell_formula_units_Z   4
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  0.07  0.72  0.22  1.0
  B  B1  1  0.57  0.57  0.57  1.0
  B  B2  1  0.22  0.07  0.72  1.0
  B  B3  1  0.72  0.22  0.07  1.0
  Pb  Pb4  1  0.6  0.25  0.69  1.0
  Pb  Pb5  1  0.04  0.04  0.04  1.0
  Pb  Pb6  1  0.69  0.6  0.25  1.0
  Pb  Pb7  1  0.25  0.69  0.6  1.0

data_BPb
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.49
_cell_length_b   7.49
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   BPb
_chemical_formula_sum   'B12 Pb12'
_cell_volume   444.9
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.05  0.6  0.67  1.0
  B  B1  3  0.0  0.0  0.57  1.0
  Pb  Pb2  9  0.07  0.58  0.18  1.0
  Pb  Pb3  3  0.0  0.0  0.04  1.0

B B B B Pb Pb Pb Pb
BPb is Hittorf-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal non-coplanar geometry to one Pb(2) and two equivalent Pb(1) atoms. The B(1)-Pb(2) bond length is 1.95 Å. There is one shorter (2.13 Å) and one longer (2.24 Å) B(1)-Pb(1) bond length. In the second B site, B(2) is bonded in a trigonal non-coplanar geometry to three equivalent Pb(1) atoms. All B(2)-Pb(1) bond lengths are 1.82 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a trigonal non-coplanar geometry to one B(2) and two equivalent B(1) atoms. In the second Pb site, Pb(2) is bonded in a trigonal planar geometry to three equivalent B(1) atoms.