data_BiPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPb3
_chemical_formula_sum   'Bi1 Pb3'
_cell_volume   128.26
_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
  Bi  Bi0  1  0.55  0.55  0.0  1.0
  Pb  Pb1  1  0.0  0.55  0.46  1.0
  Pb  Pb2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.55  0.0  0.46  1.0

data_BiPb3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiPb3
_chemical_formula_sum   'Bi2 Pb6'
_cell_volume   256.52
_cell_formula_units_Z   2
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
  Bi  Bi0  2  0.05  0.5  0.0  1.0
  Pb  Pb1  4  0.28  0.28  0.46  1.0
  Pb  Pb2  2  0.0  0.0  0.0  1.0

Bi Pb Pb Pb
Bi Pb Pb Pb 0 2 o o o 0 2 o + o 0 2 + o o 0 2 + + o 0 1 o o - 0 1 o o o 0 1 + o - 0 1 + o o 0 3 o o - 0 3 o o o 0 3 o + - 0 3 o + o 1 3 - o o 1 3 - + o 1 3 o o o 1 3 o + o 1 2 o o o 1 2 o o + 1 2 o + o 1 2 o + + 2 3 - o - 2 3 - o o 2 3 o o - 2 3 o o o 
Pb3Bi is Uranium Silicide structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 9-coordinate geometry to three equivalent Pb(1), three equivalent Pb(2), and three equivalent Bi(1) atoms. There is one shorter (3.22 Å) and two longer (3.63 Å) Pb(1)-Pb(1) bond lengths. There are a spread of Pb(1)-Pb(2) bond distances ranging from 3.19-3.61 Å. There are a spread of Pb(1)-Bi(1) bond distances ranging from 3.19-3.61 Å. In the second Pb site, Pb(2) is bonded in a 1-coordinate geometry to six equivalent Pb(1) and three equivalent Bi(1) atoms. There is one shorter (3.22 Å) and two longer (3.63 Å) Pb(2)-Bi(1) bond lengths. Bi(1) is bonded in a 9-coordinate geometry to three equivalent Pb(2) and six equivalent Pb(1) atoms.