data_GaFePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   138.61
_cell_angle_beta   138.61
_cell_angle_gamma   59.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFePb2
_chemical_formula_sum   'Ga1 Fe1 Pb2'
_cell_volume   94.03
_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  Ga1  1  0.0  0.12  0.6  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.21  1.0
  Pb  Pb3  1  0.12  0.0  0.6  1.0

data_GaFePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   6.01
_cell_angle_alpha   110.69
_cell_angle_beta   110.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFePb2
_chemical_formula_sum   'Ga1 Fe1 Pb2'
_cell_volume   94.03
_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  Ga0  1  0.52  0.12  0.52  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.4  0.0  0.52  1.0
  Pb  Pb3  1  0.79  0.0  0.79  1.0

Ga Fe Pb Pb
Ga Fe Pb Pb 0 3 o o o 1 2 o o o 
PbFe1PbGa is alpha carbon monoxide-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one PbFe1 cluster and one PbGa cluster. In the PbFe1 cluster, Fe(1) is bonded in a single-bond geometry to one Pb(1) atom. The Fe(1)-Pb(1) bond length is 1.25 Å. Pb(1) is bonded in a distorted single-bond geometry to one Fe(1) atom. In the PbGa cluster, Ga(1) is bonded in a distorted single-bond geometry to one Pb(2) atom. The Ga(1)-Pb(2) bond length is 0.75 Å. Pb(2) is bonded in a single-bond geometry to one Ga(1) atom.