data_CaBiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   4.83
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   93.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBiPb2
_chemical_formula_sum   'Ca1 Bi1 Pb2'
_cell_volume   128.78
_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
  Ca  Ca1  1  0.59  0.0  0.16  1.0
  Bi  Bi0  1  0.48  0.42  0.77  1.0
  Pb  Pb2  1  0.02  0.42  0.04  1.0
  Pb  Pb3  1  0.85  0.0  0.62  1.0

data_CaBiPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.83
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   93.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBiPb2
_chemical_formula_sum   'Ca1 Bi1 Pb2'
_cell_volume   128.78
_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
  Ca  Ca0  1  0.59  0.0  0.16  1.0
  Bi  Bi1  1  0.48  0.42  0.77  1.0
  Pb  Pb2  1  0.02  0.42  0.04  1.0
  Pb  Pb3  1  0.85  0.0  0.62  1.0

Ca Bi Pb Pb
Ca Bi Pb Pb 0 2 o - o 0 2 o o o 0 2 + - o 0 2 + o o 0 1 o o - 0 3 o o o 1 2 o o + 1 2 + o + 1 3 o o o 1 3 o + o 1 3 - o o 2 3 - o - 
CaPb2Bi crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 5-coordinate geometry to one Pb(2) and four equivalent Pb(1) atoms. The Ca(1)-Pb(2) bond length is 3.35 Å. There are a spread of Ca(1)-Pb(1) bond distances ranging from 2.76-3.63 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Bi(1) atoms. There is one shorter (2.63 Å) and one longer (2.70 Å) Pb(1)-Bi(1) bond length. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one Ca(1) and three equivalent Bi(1) atoms. There are a spread of Pb(2)-Bi(1) bond distances ranging from 2.71-3.36 Å. Bi(1) is bonded in a 3-coordinate geometry to two equivalent Pb(1) and three equivalent Pb(2) atoms.