data_BaFe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.3
_cell_length_c   8.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFe2Pb
_chemical_formula_sum   'Ba1 Fe2 Pb1'
_cell_volume   85.57
_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
  Ba  Ba0  1  0.0  0.0  0.47  1.0
  Fe  Fe1  1  0.59  0.65  0.76  1.0
  Fe  Fe2  1  0.0  0.0  0.56  1.0
  Pb  Pb3  1  0.59  0.65  0.46  1.0

data_BaFe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.3
_cell_length_c   8.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFe2Pb
_chemical_formula_sum   'Ba1 Fe2 Pb1'
_cell_volume   85.57
_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
  Ba  Ba0  1  0.0  0.0  0.47  1.0
  Fe  Fe1  1  0.0  0.0  0.56  1.0
  Fe  Fe2  1  0.59  0.65  0.76  1.0
  Pb  Pb3  1  0.59  0.65  0.46  1.0

Ba Fe Fe Pb
BaFe2Pb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaFe2Pb cluster. Ba(1) is bonded in a single-bond geometry to one Fe(2) and one Pb(1) atom. The Ba(1)-Fe(2) bond length is 0.70 Å. The Ba(1)-Pb(1) bond length is 1.75 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one Pb(1) atom. The Fe(1)-Pb(1) bond length is 2.47 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Ba(1) atom. Pb(1) is bonded in a 1-coordinate geometry to one Ba(1) and one Fe(1) atom.