data_GaFe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   135.93
_cell_angle_beta   132.64
_cell_angle_gamma   66.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Au
_chemical_formula_sum   'Ga1 Fe2 Au1'
_cell_volume   56.69
_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  Ga3  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.94  0.04  1.0
  Fe  Fe2  1  0.81  0.0  0.99  1.0
  Au  Au0  1  0.0  0.0  0.03  1.0

data_GaFe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   3.88
_cell_length_c   4.83
_cell_angle_alpha   113.68
_cell_angle_beta   112.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Au
_chemical_formula_sum   'Ga1 Fe2 Au1'
_cell_volume   56.69
_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  Ga0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.82  0.01  0.82  1.0
  Fe  Fe2  1  0.96  0.9  0.9  1.0
  Au  Au3  1  0.97  0.97  0.97  1.0

Ga Fe Fe Au
Fe2AuGa is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Fe2AuGa cluster. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Au(1) atom. The Fe(1)-Au(1) bond length is 0.33 Å. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to one Au(1) atom. The Fe(2)-Au(1) bond length is 0.78 Å. Au(1) is bonded in a distorted bent 150 degrees geometry to one Fe(1), one Fe(2), and one Ga(1) atom. The Au(1)-Ga(1) bond length is 0.16 Å. Ga(1) is bonded in a single-bond geometry to one Au(1) atom.