data_SnBPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBPb3
_chemical_formula_sum   'Sn1 B1 Pb3'
_cell_volume   134.17
_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
  Sn  Sn4  1  0.56  0.56  0.56  1.0
  B  B3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.0  0.56  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.56  1.0
  Pb  Pb2  1  0.56  0.0  0.0  1.0

data_SnBPb3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.24
_cell_length_b   7.24
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SnBPb3
_chemical_formula_sum   'Sn3 B3 Pb9'
_cell_volume   402.5
_cell_formula_units_Z   3
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  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+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
  Sn  Sn0  3  0.0  0.0  0.56  1.0
  B  B1  3  0.0  0.0  0.0  1.0
  Pb  Pb2  9  0.04  0.52  0.52  1.0

Sn B Pb Pb Pb
BPb3Sn crystallizes in the trigonal R3m space group. B(1) is bonded to six equivalent Pb(1) atoms to form corner-sharing BPb6 octahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.25 Å) and three longer (2.87 Å) B(1)-Pb(1) bond lengths. Pb(1) is bonded in a 3-coordinate geometry to two equivalent B(1) and one Sn(1) atom. The Pb(1)-Sn(1) bond length is 3.19 Å. Sn(1) is bonded in a 3-coordinate geometry to three equivalent Pb(1) atoms.