data_TiFeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   154.21
_cell_angle_beta   154.21
_cell_angle_gamma   36.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFeAu
_chemical_formula_sum   'Ti1 Fe1 Au1'
_cell_volume   45.87
_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
  Ti  Ti2  1  0.0  0.0  0.85  1.0
  Fe  Fe1  1  0.0  0.0  0.94  1.0
  Au  Au0  1  0.0  0.0  0.05  1.0

data_TiFeAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   108.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiFeAu
_chemical_formula_sum   'Ti2 Fe2 Au2'
_cell_volume   91.75
_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
  Ti  Ti0  2  0.0  0.0  0.15  1.0
  Fe  Fe1  2  0.0  0.0  0.06  1.0
  Au  Au2  2  0.0  0.0  0.95  1.0

Ti Fe Au
TiFeAu is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiFeAu clusters. Ti(1) is bonded in a single-bond geometry to one Fe(1) atom. The Ti(1)-Fe(1) bond length is 0.54 Å. Fe(1) is bonded in a linear geometry to one Ti(1) and one Au(1) atom. The Fe(1)-Au(1) bond length is 0.74 Å. Au(1) is bonded in a single-bond geometry to one Fe(1) atom.