data_TiBi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBi2Pb
_chemical_formula_sum   'Ti1 Bi2 Pb1'
_cell_volume   110.82
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.4  0.4  1.0
  Bi  Bi1  1  0.4  0.0  0.4  1.0
  Pb  Pb2  1  0.4  0.4  0.0  1.0

data_TiBi2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiBi2Pb
_chemical_formula_sum   'Ti2 Bi4 Pb2'
_cell_volume   221.64
_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
  Ti  Ti0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  4  0.2  0.2  0.4  1.0
  Pb  Pb2  2  0.4  0.0  0.0  1.0

Ti Bi Bi Pb
TiPbBi2 crystallizes in the monoclinic Cm space group. Ti(1) is bonded in a 9-coordinate geometry to three equivalent Pb(1) and six equivalent Bi(1) atoms. There is one shorter (2.73 Å) and two longer (3.46 Å) Ti(1)-Pb(1) bond lengths. There are two shorter (2.73 Å) and four longer (3.46 Å) Ti(1)-Bi(1) bond lengths. Pb(1) is bonded in a 9-coordinate geometry to three equivalent Ti(1) and six equivalent Bi(1) atoms. There are two shorter (2.73 Å) and four longer (3.46 Å) Pb(1)-Bi(1) bond lengths. Bi(1) is bonded in a 2-coordinate geometry to three equivalent Ti(1) and three equivalent Pb(1) atoms.