data_Fe2GePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2GePb
_chemical_formula_sum   'Fe2 Ge1 Pb1'
_cell_volume   69.09
_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  0.0  1.0
  Fe  Fe1  1  0.89  0.89  0.89  1.0
  Ge  Ge2  1  0.26  0.26  0.26  1.0
  Pb  Pb3  1  0.63  0.63  0.63  1.0

data_Fe2GePb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   11.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Fe2GePb
_chemical_formula_sum   'Fe6 Ge3 Pb3'
_cell_volume   207.26
_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
  Fe  Fe0  3  0.0  0.0  0.0  1.0
  Fe  Fe1  3  0.0  0.0  0.11  1.0
  Ge  Ge2  3  0.0  0.0  0.74  1.0
  Pb  Pb3  3  0.0  0.0  0.37  1.0

Fe Fe Ge Pb
Fe2PbGe crystallizes in the trigonal R3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to one Fe(2), three equivalent Pb(1), and four equivalent Ge(1) atoms. The Fe(1)-Fe(2) bond length is 1.30 Å. All Fe(1)-Pb(1) bond lengths are 2.69 Å. There are three shorter (2.80 Å) and one longer (2.90 Å) Fe(1)-Ge(1) bond length. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to one Fe(1), four equivalent Pb(1), and three equivalent Ge(1) atoms. There are three shorter (2.80 Å) and one longer (2.90 Å) Fe(2)-Pb(1) bond length. All Fe(2)-Ge(1) bond lengths are 2.69 Å. Pb(1) is bonded in a 10-coordinate geometry to three equivalent Fe(1), four equivalent Fe(2), and three equivalent Ge(1) atoms. All Pb(1)-Ge(1) bond lengths are 2.69 Å. Ge(1) is bonded in a 10-coordinate geometry to three equivalent Fe(2), four equivalent Fe(1), and three equivalent Pb(1) atoms.