data_GaFe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   7.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Pb
_chemical_formula_sum   'Ga1 Fe2 Pb1'
_cell_volume   71.69
_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
  Ga  Ga2  1  0.0  0.0  0.03  1.0
  Fe  Fe0  1  0.0  0.0  0.46  1.0
  Fe  Fe1  1  0.56  0.56  0.68  1.0
  Pb  Pb3  1  0.56  0.56  0.91  1.0

data_GaFe2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   7.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaFe2Pb
_chemical_formula_sum   'Ga2 Fe4 Pb2'
_cell_volume   143.37
_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
  Ga  Ga0  2  0.0  0.0  0.03  1.0
  Fe  Fe1  2  0.0  0.0  0.46  1.0
  Fe  Fe2  2  0.06  0.5  0.68  1.0
  Pb  Pb3  2  0.06  0.5  0.91  1.0

Ga Fe Fe Pb
Fe2GaPb 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 four equivalent Fe(1), four equivalent Fe(2), and one Ga(1) atom. All Fe(1)-Fe(1) bond lengths are 3.11 Å. There are a spread of Fe(1)-Fe(2) bond distances ranging from 2.53-2.94 Å. The Fe(1)-Ga(1) bond length is 3.15 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to four equivalent Fe(1) and one Pb(1) atom. The Fe(2)-Pb(1) bond length is 1.69 Å. Ga(1) is bonded in a 4-coordinate geometry to one Fe(1) and four equivalent Pb(1) atoms. There are a spread of Ga(1)-Pb(1) bond distances ranging from 2.16-2.63 Å. Pb(1) is bonded in a 5-coordinate geometry to one Fe(2) and four equivalent Ga(1) atoms.