data_Fe2ReAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   3.57
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2ReAu
_chemical_formula_sum   'Fe2 Re1 Au1'
_cell_volume   54.18
_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  Fe1  1  0.36  0.78  0.37  1.0
  Fe  Fe2  1  0.36  0.78  0.22  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.79  1.0

data_Fe2ReAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   3.57
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2ReAu
_chemical_formula_sum   'Fe2 Re1 Au1'
_cell_volume   54.18
_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  0.36  0.78  0.22  1.0
  Fe  Fe1  1  0.36  0.78  0.37  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.0  0.79  1.0

Fe Fe Re Au
ReFe2Au crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ReFe2Au cluster. Re(1) is bonded in a distorted single-bond geometry to one Fe(2) and one Au(1) atom. The Re(1)-Fe(2) bond length is 1.73 Å. The Re(1)-Au(1) bond length is 1.15 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one Fe(2) atom. The Fe(1)-Fe(2) bond length is 0.87 Å. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to one Re(1) and one Fe(1) atom. Au(1) is bonded in a single-bond geometry to one Re(1) atom.