data_Fe2AsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2AsPb
_chemical_formula_sum   'Fe2 As1 Pb1'
_cell_volume   68.52
_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  Fe1  1  0.58  0.58  0.22  1.0
  Fe  Fe2  1  0.58  0.58  0.61  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.42  1.0

data_Fe2AsPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2AsPb
_chemical_formula_sum   'Fe4 As2 Pb2'
_cell_volume   137.04
_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  0.08  0.5  0.22  1.0
  Fe  Fe1  2  0.08  0.5  0.61  1.0
  As  As2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.42  1.0

Fe Fe As Pb
Fe Fe As Pb 0 2 o o o 0 2 o + o 0 2 + o o 0 2 + + o 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 1 o o o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 2 + + + 2 2 + o o 2 2 o + o 2 3 o o o 
Fe2PbAs crystallizes in the monoclinic Cm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to one Fe(2), four equivalent Pb(1), and four equivalent As(1) atoms. The Fe(1)-Fe(2) bond length is 2.64 Å. There are a spread of Fe(1)-Pb(1) bond distances ranging from 2.28-2.93 Å. There are a spread of Fe(1)-As(1) bond distances ranging from 2.41-3.03 Å. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to one Fe(1), four equivalent Pb(1), and one As(1) atom. There are a spread of Fe(2)-Pb(1) bond distances ranging from 2.28-2.93 Å. The Fe(2)-As(1) bond length is 3.26 Å. Pb(1) is bonded in a 9-coordinate geometry to four equivalent Fe(1), four equivalent Fe(2), and one As(1) atom. The Pb(1)-As(1) bond length is 2.85 Å. As(1) is bonded in a 6-coordinate geometry to one Fe(2), four equivalent Fe(1), and one Pb(1) atom.