data_CdFe4Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe4Pb
_chemical_formula_sum   'Cd1 Fe4 Pb1'
_cell_volume   92.5
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.68  0.5  0.68  1.0
  Fe  Fe2  1  0.5  0.68  0.68  1.0
  Fe  Fe3  1  0.5  0.5  0.5  1.0
  Fe  Fe4  1  0.68  0.68  0.5  1.0
  Pb  Pb5  1  0.79  0.79  0.79  1.0

data_CdFe4Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdFe4Pb
_chemical_formula_sum   'Cd3 Fe12 Pb3'
_cell_volume   277.51
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Cd  Cd0  3  0.0  0.0  0.0  1.0
  Fe  Fe1  9  0.12  0.06  0.38  1.0
  Fe  Fe2  3  0.0  0.0  0.5  1.0
  Pb  Pb3  3  0.0  0.0  0.21  1.0

Cd Fe Fe Fe Fe Pb
Cd Fe Fe Fe Fe Pb 0 5 - - - 0 4 - - o 0 1 - o - 0 2 o - - 1 2 o o o 1 4 o o o 1 3 o o o 1 5 o o o 2 4 o o o 2 3 o o o 2 5 o o o 3 4 o o o 4 5 o o o 
Fe4CdPb crystallizes in the trigonal R3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one Fe(2), two equivalent Fe(1), one Cd(1), and two equivalent Pb(1) atoms. The Fe(1)-Fe(2) bond length is 1.65 Å. Both Fe(1)-Fe(1) bond lengths are 0.95 Å. The Fe(1)-Cd(1) bond length is 2.45 Å. There is one shorter (2.23 Å) and one longer (3.10 Å) Fe(1)-Pb(1) bond length. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and three equivalent Pb(1) atoms. All Fe(2)-Pb(1) bond lengths are 2.96 Å. Cd(1) is bonded in a 4-coordinate geometry to three equivalent Fe(1) and one Pb(1) atom. The Cd(1)-Pb(1) bond length is 2.55 Å. Pb(1) is bonded in a 7-coordinate geometry to three equivalent Fe(2), six equivalent Fe(1), and one Cd(1) atom.