data_BiMoPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   3.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiMoPb2
_chemical_formula_sum   'Bi1 Mo1 Pb2'
_cell_volume   107.17
_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
  Bi  Bi0  1  0.35  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.67  0.33  0.72  1.0
  Pb  Pb3  1  0.67  0.67  0.72  1.0

data_BiMoPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   108.64
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiMoPb2
_chemical_formula_sum   'Bi1 Mo1 Pb2'
_cell_volume   107.17
_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
  Bi  Bi0  1  0.0  0.35  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.72  0.67  0.33  1.0
  Pb  Pb3  1  0.72  0.67  0.67  1.0

Bi Mo Pb Pb
Bi Mo Pb Pb 0 1 o o o 0 2 o o - 1 3 - - - 2 3 o o o 
MoPb2Bi crystallizes in the triclinic P1 space group. Mo(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Pb(2) and one Bi(1) atom. There is one shorter (2.41 Å) and one longer (3.30 Å) Mo(1)-Pb(2) bond length. The Mo(1)-Bi(1) bond length is 2.00 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 2-coordinate geometry to one Pb(2) and one Bi(1) atom. The Pb(1)-Pb(2) bond length is 1.93 Å. The Pb(1)-Bi(1) bond length is 2.41 Å. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to two equivalent Mo(1), one Pb(1), two equivalent Pb(2), and one Bi(1) atom. Both Pb(2)-Pb(2) bond lengths are 3.43 Å. The Pb(2)-Bi(1) bond length is 3.22 Å. Bi(1) is bonded in a distorted bent 120 degrees geometry to one Mo(1), one Pb(1), and one Pb(2) atom.