data_Fe5Pb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65
_cell_length_b   7.65
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5Pb4
_chemical_formula_sum   'Fe10 Pb8'
_cell_volume   266.6
_cell_formula_units_Z   2
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  0.72  0.7  0.94  1.0
  Fe  Fe1  1  0.22  0.0  0.94  1.0
  Fe  Fe2  1  0.89  0.92  0.94  1.0
  Fe  Fe3  1  0.11  0.92  0.31  1.0
  Fe  Fe4  1  0.43  0.0  0.31  1.0
  Fe  Fe5  1  0.28  0.7  0.31  1.0
  Fe  Fe6  1  0.0  0.42  0.63  1.0
  Fe  Fe7  1  0.83  0.21  0.0  1.0
  Fe  Fe8  1  0.83  0.21  0.63  1.0
  Fe  Fe9  1  0.0  0.42  0.0  1.0
  Pb  Pb10  1  0.0  0.0  0.63  1.0
  Pb  Pb11  1  0.0  0.0  0.0  1.0
  Pb  Pb12  1  0.45  0.52  0.94  1.0
  Pb  Pb13  1  0.75  0.0  0.94  1.0
  Pb  Pb14  1  0.63  0.11  0.94  1.0
  Pb  Pb15  1  0.37  0.11  0.31  1.0
  Pb  Pb16  1  0.91  0.0  0.31  1.0
  Pb  Pb17  1  0.55  0.52  0.31  1.0

data_Fe5Pb4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.25
_cell_length_b   7.65
_cell_length_c   7.65
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5Pb4
_chemical_formula_sum   'Fe10 Pb8'
_cell_volume   266.6
_cell_formula_units_Z   2
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  0.42  1.0
  Fe  Fe1  1  -0.0  0.83  0.21  1.0
  Fe  Fe2  1  0.31  0.11  0.92  1.0
  Fe  Fe3  1  0.31  0.28  0.7  1.0
  Fe  Fe4  1  0.31  0.43  0.0  1.0
  Fe  Fe5  1  0.63  0.0  0.42  1.0
  Fe  Fe6  1  0.63  0.83  0.21  1.0
  Fe  Fe7  1  0.94  0.22  0.0  1.0
  Fe  Fe8  1  0.94  0.72  0.7  1.0
  Fe  Fe9  1  0.94  0.89  0.92  1.0
  Pb  Pb10  1  0.0  0.0  0.0  1.0
  Pb  Pb11  1  0.31  0.37  0.11  1.0
  Pb  Pb12  1  0.31  0.55  0.52  1.0
  Pb  Pb13  1  0.31  0.91  0.0  1.0
  Pb  Pb14  1  0.63  0.0  0.0  1.0
  Pb  Pb15  1  0.94  0.45  0.52  1.0
  Pb  Pb16  1  0.94  0.63  0.11  1.0
  Pb  Pb17  1  0.94  0.75  0.0  1.0

Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Pb Pb Pb Pb Pb Pb Pb Pb
Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Pb Pb Pb Pb Pb Pb Pb Pb 0 12 o o o 0 2 o o o 0 17 o o + 1 3 o - + 1 11 o o + 2 11 + + + 2 10 + + o 2 13 o + o 2 16 o + + 3 11 o + o 3 10 o + o 3 16 - + o 3 15 o + o 3 4 o + o 4 15 o o o 4 5 o - o 6 8 - o o 7 14 o o - 7 13 o o - 7 9 + o o 10 16 - o o 10 11 o o + 11 16 - o o 12 17 o o + 13 14 o o o 
Fe5Pb4 crystallizes in the triclinic P1 space group. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one Fe(3), one Pb(3), one Pb(4), and one Pb(8) atom. The Fe(1)-Fe(3) bond length is 1.53 Å. The Fe(1)-Pb(3) bond length is 1.78 Å. The Fe(1)-Pb(4) bond length is 2.16 Å. The Fe(1)-Pb(8) bond length is 2.39 Å. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to one Pb(1) and one Pb(2) atom. The Fe(2)-Pb(1) bond length is 2.37 Å. The Fe(2)-Pb(2) bond length is 1.73 Å. In the third Fe site, Fe(3) is bonded in a 1-coordinate geometry to one Fe(1), one Pb(1), one Pb(2), and one Pb(4) atom. The Fe(3)-Pb(1) bond length is 1.81 Å. The Fe(3)-Pb(2) bond length is 0.81 Å. The Fe(3)-Pb(4) bond length is 1.48 Å. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one Fe(6), one Pb(1), one Pb(2), one Pb(6), and one Pb(7) atom. The Fe(4)-Fe(6) bond length is 2.61 Å. The Fe(4)-Pb(1) bond length is 2.07 Å. The Fe(4)-Pb(2) bond length is 2.07 Å. The Fe(4)-Pb(6) bond length is 1.78 Å. The Fe(4)-Pb(7) bond length is 1.90 Å. In the fifth Fe site, Fe(5) is bonded in a distorted single-bond geometry to one Fe(6) and one Pb(6) atom. The Fe(5)-Fe(6) bond length is 1.96 Å. The Fe(5)-Pb(6) bond length is 1.14 Å. In the sixth Fe site, Fe(6) is bonded in a 6-coordinate geometry to one Fe(10), one Fe(4), one Fe(5), one Fe(7), one Pb(3), and one Pb(8) atom. The Fe(6)-Fe(10) bond length is 2.73 Å. The Fe(6)-Fe(7) bond length is 2.73 Å. The Fe(6)-Pb(3) bond length is 3.07 Å. The Fe(6)-Pb(8) bond length is 2.98 Å. In the seventh Fe site, Fe(7) is bonded in a 2-coordinate geometry to one Fe(10), one Fe(6), and one Fe(9) atom. The Fe(7)-Fe(10) bond length is 1.96 Å. The Fe(7)-Fe(9) bond length is 1.48 Å. In the eighth Fe site, Fe(8) is bonded in a 2-coordinate geometry to one Fe(10), one Fe(9), one Pb(4), and one Pb(5) atom. The Fe(8)-Fe(10) bond length is 1.48 Å. The Fe(8)-Fe(9) bond length is 1.96 Å. The Fe(8)-Pb(4) bond length is 1.43 Å. The Fe(8)-Pb(5) bond length is 1.36 Å. In the ninth Fe site, Fe(9) is bonded in a 6-coordinate geometry to one Fe(7), one Fe(8), one Pb(1), one Pb(4), one Pb(5), and one Pb(7) atom. The Fe(9)-Pb(1) bond length is 2.54 Å. The Fe(9)-Pb(4) bond length is 2.16 Å. The Fe(9)-Pb(5) bond length is 2.11 Å. The Fe(9)-Pb(7) bond length is 2.59 Å. In the tenth Fe site, Fe(10) is bonded in a 4-coordinate geometry to one Fe(6), one Fe(7), one Fe(8), and one Pb(3) atom. The Fe(10)-Pb(3) bond length is 3.18 Å. There are eight inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one Fe(2), one Fe(3), one Fe(4), one Fe(9), and one Pb(7) atom. The Pb(1)-Pb(7) bond length is 1.79 Å. In the second Pb site, Pb(2) is bonded in a distorted single-bond geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the third Pb site, Pb(3) is bonded in a distorted single-bond geometry to one Fe(1), one Fe(10), one Fe(6), and one Pb(8) atom. The Pb(3)-Pb(8) bond length is 2.08 Å. In the fourth Pb site, Pb(4) is bonded in a bent 120 degrees geometry to one Fe(1), one Fe(3), one Fe(8), and one Fe(9) atom. In the fifth Pb site, Pb(5) is bonded in a distorted single-bond geometry to one Fe(8) and one Fe(9) atom. In the sixth Pb site, Pb(6) is bonded in a 1-coordinate geometry to one Fe(4), one Fe(5), and one Pb(8) atom. The Pb(6)-Pb(8) bond length is 2.73 Å. In the seventh Pb site, Pb(7) is bonded in a 1-coordinate geometry to one Fe(4), one Fe(9), and one Pb(1) atom. In the eighth Pb site, Pb(8) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(6), one Pb(3), and one Pb(6) atom.