data_Ti2SbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SbAu
_chemical_formula_sum   'Ti2 Sb1 Au1'
_cell_volume   74.18
_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
  Ti  Ti2  1  0.0  0.0  0.01  1.0
  Ti  Ti3  1  0.0  0.0  0.88  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.94  1.0

data_Ti2SbAu
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.0
_cell_length_b   4.7
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   Ti2SbAu
_chemical_formula_sum   'Ti4 Sb2 Au2'
_cell_volume   148.36
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.12  1.0
  Ti  Ti1  2  0.0  0.0  0.99  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.06  1.0

Ti Ti Sb Au
Ti Ti Sb Au 0 2 o o o 0 3 o o - 1 3 o o o 2 3 o o - 
Ti2AuSb is Cyanogen Chloride-like structured and crystallizes in the orthorhombic Cmm2 space group. The structure is zero-dimensional and consists of two Ti2AuSb clusters. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to one Sb(1) atom. The Ti(1)-Sb(1) bond length is 0.09 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Au(1) atom. The Ti(2)-Au(1) bond length is 0.53 Å. Au(1) is bonded in a linear geometry to one Ti(2) and one Sb(1) atom. The Au(1)-Sb(1) bond length is 0.44 Å. Sb(1) is bonded in a linear geometry to one Ti(1) and one Au(1) atom.