data_LaFePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   6.68
_cell_length_c   6.68
_cell_angle_alpha   40.3
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFePb2
_chemical_formula_sum   'La1 Fe1 Pb2'
_cell_volume   103.63
_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
  La  La1  1  0.8  0.0  0.62  1.0
  Fe  Fe0  1  0.0  0.0  0.79  1.0
  Pb  Pb2  1  0.0  0.0  0.69  1.0
  Pb  Pb3  1  0.8  0.0  0.91  1.0

data_LaFePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.6
_cell_length_c   6.68
_cell_angle_alpha   110.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFePb2
_chemical_formula_sum   'La1 Fe1 Pb2'
_cell_volume   103.63
_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
  La  La0  1  0.2  0.62  0.62  1.0
  Fe  Fe1  1  0.0  0.79  0.79  1.0
  Pb  Pb2  1  0.0  0.69  0.69  1.0
  Pb  Pb3  1  0.2  0.91  0.91  1.0

La Fe Pb Pb
LaFePb2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LaFePb2 cluster. La(1) is bonded in a single-bond geometry to one Pb(1) atom. The La(1)-Pb(1) bond length is 0.84 Å. Fe(1) is bonded in a 2-coordinate geometry to one Pb(1) and one Pb(2) atom. The Fe(1)-Pb(1) bond length is 0.67 Å. The Fe(1)-Pb(2) bond length is 1.09 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a bent 120 degrees geometry to one La(1) and one Fe(1) atom. In the second Pb site, Pb(2) is bonded in a single-bond geometry to one Fe(1) atom.