data_Ti5Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82
_cell_length_b   7.82
_cell_length_c   7.82
_cell_angle_alpha   96.19
_cell_angle_beta   96.19
_cell_angle_gamma   141.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5Au3
_chemical_formula_sum   'Ti10 Au6'
_cell_volume   279.85
_cell_formula_units_Z   2
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  Ti6  1  0.87  0.02  0.0  1.0
  Ti  Ti7  1  0.8  0.35  0.57  1.0
  Ti  Ti8  1  0.0  0.22  0.28  1.0
  Ti  Ti9  1  0.8  0.09  0.0  1.0
  Ti  Ti10  1  0.87  0.42  0.57  1.0
  Ti  Ti11  1  0.35  0.8  0.0  1.0
  Ti  Ti12  1  0.42  0.13  0.57  1.0
  Ti  Ti13  1  0.22  0.0  0.28  1.0
  Ti  Ti14  1  0.42  0.87  0.0  1.0
  Ti  Ti15  1  0.35  0.2  0.57  1.0
  Au  Au0  1  0.48  0.74  0.57  1.0
  Au  Au1  1  0.0  0.0  0.85  1.0
  Au  Au2  1  0.26  0.48  0.57  1.0
  Au  Au3  1  0.96  0.74  0.0  1.0
  Au  Au4  1  0.0  0.0  0.28  1.0
  Au  Au5  1  0.74  0.48  0.0  1.0

data_Ti5Au3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.13
_cell_length_b   7.82
_cell_length_c   7.82
_cell_angle_alpha   83.81
_cell_angle_beta   70.84
_cell_angle_gamma   70.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5Au3
_chemical_formula_sum   'Ti10 Au6'
_cell_volume   279.85
_cell_formula_units_Z   2
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  Ti0  1  0.02  0.0  0.84  1.0
  Ti  Ti1  1  0.09  0.0  0.71  1.0
  Ti  Ti2  1  0.56  0.57  0.29  1.0
  Ti  Ti3  1  0.63  0.57  0.16  1.0
  Ti  Ti4  1  0.72  0.28  0.22  1.0
  Ti  Ti5  1  0.79  0.57  0.45  1.0
  Ti  Ti6  1  0.8  0.0  0.55  1.0
  Ti  Ti7  1  0.85  0.57  0.45  1.0
  Ti  Ti8  1  0.87  0.0  0.55  1.0
  Ti  Ti9  1  0.94  0.28  0.78  1.0
  Au  Au10  1  0.15  0.85  0.0  1.0
  Au  Au11  1  0.17  0.57  0.74  1.0
  Au  Au12  1  0.48  0.0  0.26  1.0
  Au  Au13  1  0.72  0.28  0.0  1.0
  Au  Au14  1  0.74  0.0  0.22  1.0
  Au  Au15  1  0.92  0.57  0.78  1.0

Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Au Au Au Au Au Au
Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Au Au Au Au Au Au 0 3 o o o 0 2 + o o 0 11 + o - 1 4 o o o 2 3 - o o 2 14 o o o 2 12 o o o 5 8 o o o 6 9 o o o 6 7 o o o 7 13 - - o 7 14 o o o 7 9 o o o 10 12 o o o 13 15 o o o 
Ti2AuTi8Au5 is Cubic alpha N2-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ti2Au cluster and one Ti8Au5 cluster. In the Ti2Au cluster, there are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 2-coordinate geometry to one Ti(4) and one Au(2) atom. The Ti(1)-Ti(4) bond length is 0.98 Å. The Ti(1)-Au(2) bond length is 1.73 Å. In the second Ti site, Ti(4) is bonded in a distorted single-bond geometry to one Ti(1) atom. Au(2) is bonded in a single-bond geometry to one Ti(1) atom. In the Ti8Au5 cluster, there are eight inequivalent Ti sites. In the first Ti site, Ti(2) is bonded in a distorted single-bond geometry to one Ti(5) atom. The Ti(2)-Ti(5) bond length is 0.34 Å. In the second Ti site, Ti(3) is bonded in a distorted L-shaped geometry to one Au(3) and one Au(5) atom. The Ti(3)-Au(3) bond length is 2.18 Å. The Ti(3)-Au(5) bond length is 1.73 Å. In the third Ti site, Ti(5) is bonded in a distorted bent 120 degrees geometry to one Ti(2) and one Au(3) atom. The Ti(5)-Au(3) bond length is 2.69 Å. In the fourth Ti site, Ti(6) is bonded in a distorted bent 120 degrees geometry to one Ti(9) and one Au(4) atom. The Ti(6)-Ti(9) bond length is 0.34 Å. The Ti(6)-Au(4) bond length is 2.69 Å. In the fifth Ti site, Ti(7) is bonded in a 1-coordinate geometry to one Ti(10) atom. The Ti(7)-Ti(10) bond length is 0.98 Å. In the sixth Ti site, Ti(8) is bonded in a distorted L-shaped geometry to one Au(4) and one Au(5) atom. The Ti(8)-Au(4) bond length is 2.18 Å. The Ti(8)-Au(5) bond length is 1.73 Å. In the seventh Ti site, Ti(9) is bonded in a distorted single-bond geometry to one Ti(6) atom. In the eighth Ti site, Ti(10) is bonded in a 1-coordinate geometry to one Ti(7) and one Au(3) atom. The Ti(10)-Au(3) bond length is 2.83 Å. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted single-bond geometry to one Au(3) atom. The Au(1)-Au(3) bond length is 1.25 Å. In the second Au site, Au(3) is bonded in a 4-coordinate geometry to one Ti(10), one Ti(3), one Ti(5), and one Au(1) atom. In the third Au site, Au(4) is bonded in a 3-coordinate geometry to one Ti(6), one Ti(8), and one Au(6) atom. The Au(4)-Au(6) bond length is 1.25 Å. In the fourth Au site, Au(5) is bonded in a distorted bent 150 degrees geometry to one Ti(3) and one Ti(8) atom. In the fifth Au site, Au(6) is bonded in a distorted single-bond geometry to one Au(4) atom.