data_NbFe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFe2Pb
_chemical_formula_sum   'Nb1 Fe2 Pb1'
_cell_volume   67.44
_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
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.66  0.66  0.87  1.0
  Fe  Fe1  1  0.66  0.66  0.25  1.0
  Pb  Pb3  1  0.0  0.0  0.06  1.0

data_NbFe2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbFe2Pb
_chemical_formula_sum   'Nb2 Fe4 Pb2'
_cell_volume   134.89
_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
  Nb  Nb0  2  0.0  0.0  0.0  1.0
  Fe  Fe1  2  0.16  0.5  0.25  1.0
  Fe  Fe2  2  0.16  0.5  0.87  1.0
  Pb  Pb3  2  0.0  0.0  0.06  1.0

Nb Fe Fe Pb
NbFe2Pb crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NbFe2Pb clusters. Nb(1) is bonded in a single-bond geometry to one Fe(1) and one Pb(1) atom. The Nb(1)-Fe(1) bond length is 1.78 Å. The Nb(1)-Pb(1) bond length is 0.36 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to one Nb(1) atom. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to one Pb(1) atom. The Fe(2)-Pb(1) bond length is 1.96 Å. Pb(1) is bonded in a single-bond geometry to one Nb(1) and one Fe(2) atom.