data_Fe2NiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_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   Fe2NiPb
_chemical_formula_sum   'Fe2 Ni1 Pb1'
_cell_volume   60.77
_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
  Fe  Fe0  1  0.0  0.0  0.31  1.0
  Fe  Fe1  1  0.58  0.58  0.51  1.0
  Ni  Ni2  1  0.0  0.0  0.81  1.0
  Pb  Pb3  1  0.58  0.58  0.55  1.0

data_Fe2NiPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.46
_cell_length_b   4.46
_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   Fe2NiPb
_chemical_formula_sum   'Fe4 Ni2 Pb2'
_cell_volume   121.54
_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
  Fe  Fe0  2  0.0  0.0  0.31  1.0
  Fe  Fe1  2  0.08  0.5  0.51  1.0
  Ni  Ni2  2  0.0  0.0  0.81  1.0
  Pb  Pb3  2  0.08  0.5  0.55  1.0

Fe Fe Ni Pb
Fe2NiPb crystallizes in the monoclinic Cm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to three equivalent Fe(2) and one Ni(1) atom. There is one shorter (2.24 Å) and two longer (2.55 Å) Fe(1)-Fe(2) bond lengths. The Fe(1)-Ni(1) bond length is 3.05 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to three equivalent Fe(1) and one Pb(1) atom. The Fe(2)-Pb(1) bond length is 0.27 Å. Ni(1) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Pb(1) atoms. There are a spread of Ni(1)-Pb(1) bond distances ranging from 2.48-3.03 Å. Pb(1) is bonded in a single-bond geometry to one Fe(2) and four equivalent Ni(1) atoms.