data_AlFe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2Pb
_chemical_formula_sum   'Al1 Fe2 Pb1'
_cell_volume   64.11
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.17  0.0  0.19  1.0
  Fe  Fe2  1  0.17  0.0  0.27  1.0
  Pb  Pb3  1  0.0  0.0  0.23  1.0

data_AlFe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2Pb
_chemical_formula_sum   'Al1 Fe2 Pb1'
_cell_volume   64.11
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.17  0.0  0.19  1.0
  Fe  Fe2  1  0.17  0.0  0.27  1.0
  Pb  Pb3  1  0.0  0.0  0.23  1.0

Al Fe Fe Pb
Al Fe Fe Pb 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 
Fe2AlPb is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Fe2AlPb cluster. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to one Fe(2), one Al(1), and one Pb(1) atom. The Fe(1)-Fe(2) bond length is 0.52 Å. The Fe(1)-Al(1) bond length is 1.33 Å. The Fe(1)-Pb(1) bond length is 0.60 Å. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to one Fe(1) and one Pb(1) atom. The Fe(2)-Pb(1) bond length is 0.60 Å. Al(1) is bonded in a 2-coordinate geometry to one Fe(1) and one Pb(1) atom. The Al(1)-Pb(1) bond length is 1.48 Å. Pb(1) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(2), and one Al(1) atom.