data_KFe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFe2Pb
_chemical_formula_sum   'K1 Fe2 Pb1'
_cell_volume   82.69
_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
  K  K2  1  0.0  0.0  0.92  1.0
  Fe  Fe0  1  0.0  0.0  0.48  1.0
  Fe  Fe1  1  0.56  0.56  0.28  1.0
  Pb  Pb3  1  0.56  0.56  0.97  1.0

data_KFe2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KFe2Pb
_chemical_formula_sum   'K2 Fe4 Pb2'
_cell_volume   165.37
_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
  K  K0  2  0.0  0.0  0.92  1.0
  Fe  Fe1  2  0.0  0.0  0.48  1.0
  Fe  Fe2  2  0.06  0.5  0.28  1.0
  Pb  Pb3  2  0.06  0.5  0.97  1.0

K Fe Fe Pb
KFe2Pb crystallizes in the monoclinic Cm space group. K(1) is bonded in a 4-coordinate geometry to one Fe(1) and four equivalent Pb(1) atoms. The K(1)-Fe(1) bond length is 3.72 Å. There are a spread of K(1)-Pb(1) bond distances ranging from 1.98-2.54 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to one K(1), four equivalent Fe(1), and four equivalent Fe(2) atoms. All Fe(1)-Fe(1) bond lengths are 3.13 Å. There are a spread of Fe(1)-Fe(2) bond distances ranging from 2.55-3.01 Å. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to four Fe(1,1) and one Pb(1) atom. Both Fe(2)-Fe(1) bond lengths are 2.79 Å. The Fe(2)-Pb(1) bond length is 2.61 Å. In the third Fe site, Fe(1) is bonded in a 9-coordinate geometry to one K(1), four equivalent Fe(1), and four equivalent Fe(2) atoms. The Fe(1)-K(1) bond length is 3.72 Å. Pb(1) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Fe(2) atom.