data_Al5Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72
_cell_length_b   7.72
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Au3
_chemical_formula_sum   'Al10 Au6'
_cell_volume   284.87
_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
  Al  Al0  1  0.86  0.23  0.76  1.0
  Al  Al1  1  0.0  0.46  0.0  1.0
  Al  Al2  1  0.0  0.46  0.76  1.0
  Al  Al3  1  0.86  0.23  0.0  1.0
  Al  Al4  1  0.22  0.81  0.14  1.0
  Al  Al5  1  0.92  0.88  0.38  1.0
  Al  Al6  1  0.08  0.88  0.14  1.0
  Al  Al7  1  0.55  0.0  0.14  1.0
  Al  Al8  1  0.17  0.0  0.38  1.0
  Al  Al9  1  0.78  0.81  0.38  1.0
  Au  Au10  1  0.59  0.44  0.14  1.0
  Au  Au11  1  0.55  0.25  0.38  1.0
  Au  Au12  1  0.45  0.25  0.14  1.0
  Au  Au13  1  0.82  0.0  0.14  1.0
  Au  Au14  1  0.9  0.0  0.38  1.0
  Au  Au15  1  0.41  0.44  0.38  1.0

data_Al5Au3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.52
_cell_length_b   7.72
_cell_length_c   7.72
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Au3
_chemical_formula_sum   'Al10 Au6'
_cell_volume   284.87
_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
  Al  Al0  1  0.0  0.0  0.46  1.0
  Al  Al1  1  0.0  0.86  0.23  1.0
  Al  Al2  1  0.14  0.08  0.88  1.0
  Al  Al3  1  0.14  0.22  0.81  1.0
  Al  Al4  1  0.14  0.55  0.0  1.0
  Al  Al5  1  0.38  0.17  0.0  1.0
  Al  Al6  1  0.38  0.78  0.81  1.0
  Al  Al7  1  0.38  0.92  0.88  1.0
  Al  Al8  1  0.76  0.0  0.46  1.0
  Al  Al9  1  0.76  0.86  0.23  1.0
  Au  Au10  1  0.14  0.45  0.25  1.0
  Au  Au11  1  0.14  0.59  0.44  1.0
  Au  Au12  1  0.14  0.82  0.0  1.0
  Au  Au13  1  0.38  0.41  0.44  1.0
  Au  Au14  1  0.38  0.55  0.25  1.0
  Au  Au15  1  0.38  0.9  0.0  1.0

Al Al Al Al Al Al Al Al Al Al Au Au Au Au Au Au
Al Al Al Al Al Al Al Al Al Al Au Au Au Au Au Au 0 2 + o o 0 3 o o + 1 3 - o o 1 2 o o - 3 7 o o o 3 13 o o o 4 6 o o o 4 7 o + o 5 9 o o o 5 14 o + o 5 8 + + o 6 8 o + o 7 12 o o o 7 11 o o o 7 13 o o o 10 12 o o o 10 15 o o o 11 12 o o o 11 15 o o o 12 15 o o o 13 14 o o o 
Au3Al5 crystallizes in the triclinic P1 space group. There are six inequivalent Au sites. In the first Au site, Au(1) is bonded in a 5-coordinate geometry to one Au(2), one Au(3), one Au(6), one Al(10), and one Al(2) atom. The Au(1)-Au(2) bond length is 1.91 Å. The Au(1)-Au(3) bond length is 1.34 Å. The Au(1)-Au(6) bond length is 1.94 Å. The Au(1)-Al(10) bond length is 2.80 Å. The Au(1)-Al(2) bond length is 3.18 Å. In the second Au site, Au(2) is bonded in a 2-coordinate geometry to one Au(1), one Au(3), one Au(6), one Al(8), and one Al(9) atom. The Au(2)-Au(3) bond length is 1.53 Å. The Au(2)-Au(6) bond length is 2.24 Å. The Au(2)-Al(8) bond length is 2.33 Å. The Au(2)-Al(9) bond length is 2.57 Å. In the third Au site, Au(3) is bonded in a 4-coordinate geometry to one Au(1), one Au(2), one Au(6), one Al(7), one Al(8), and one Al(9) atom. The Au(3)-Au(6) bond length is 2.15 Å. The Au(3)-Al(7) bond length is 2.84 Å. The Au(3)-Al(8) bond length is 2.39 Å. The Au(3)-Al(9) bond length is 2.45 Å. In the fourth Au site, Au(4) is bonded in a 4-coordinate geometry to one Au(5), one Al(10), one Al(4), one Al(7), and one Al(8) atom. The Au(4)-Au(5) bond length is 1.49 Å. The Au(4)-Al(10) bond length is 1.90 Å. The Au(4)-Al(4) bond length is 1.80 Å. The Au(4)-Al(7) bond length is 2.65 Å. The Au(4)-Al(8) bond length is 2.05 Å. In the fifth Au site, Au(5) is bonded in a distorted single-bond geometry to one Au(4), one Al(1), one Al(10), one Al(6), and one Al(9) atom. The Au(5)-Al(1) bond length is 2.86 Å. The Au(5)-Al(10) bond length is 1.31 Å. The Au(5)-Al(6) bond length is 0.99 Å. The Au(5)-Al(9) bond length is 2.05 Å. In the sixth Au site, Au(6) is bonded in a 5-coordinate geometry to one Au(1), one Au(2), one Au(3), one Al(10), and one Al(9) atom. The Au(6)-Al(10) bond length is 2.84 Å. The Au(6)-Al(9) bond length is 2.95 Å. There are ten inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to one Au(5), one Al(3), and one Al(4) atom. The Al(1)-Al(3) bond length is 1.54 Å. The Al(1)-Al(4) bond length is 1.33 Å. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to one Au(1), one Al(3), one Al(4), and one Al(5) atom. The Al(2)-Al(3) bond length is 1.33 Å. The Al(2)-Al(4) bond length is 1.54 Å. The Al(2)-Al(5) bond length is 2.49 Å. In the third Al site, Al(3) is bonded in an L-shaped geometry to one Al(1) and one Al(2) atom. In the fourth Al site, Al(4) is bonded in a 1-coordinate geometry to one Au(4), one Al(1), one Al(2), and one Al(8) atom. The Al(4)-Al(8) bond length is 2.27 Å. In the fifth Al site, Al(5) is bonded in a distorted single-bond geometry to one Al(2), one Al(7), one Al(8), and one Al(9) atom. The Al(5)-Al(7) bond length is 1.43 Å. The Al(5)-Al(8) bond length is 2.20 Å. The Al(5)-Al(9) bond length is 2.18 Å. In the sixth Al site, Al(6) is bonded in a single-bond geometry to one Au(5), one Al(10), one Al(7), and one Al(9) atom. The Al(6)-Al(10) bond length is 0.93 Å. The Al(6)-Al(7) bond length is 1.87 Å. The Al(6)-Al(9) bond length is 1.70 Å. In the seventh Al site, Al(7) is bonded in a 5-coordinate geometry to one Au(3), one Au(4), one Al(5), one Al(6), and one Al(9) atom. The Al(7)-Al(9) bond length is 1.57 Å. In the eighth Al site, Al(8) is bonded in a 5-coordinate geometry to one Au(2), one Au(3), one Au(4), one Al(4), and one Al(5) atom. In the ninth Al site, Al(9) is bonded in a 7-coordinate geometry to one Au(2), one Au(3), one Au(5), one Au(6), one Al(5), one Al(6), and one Al(7) atom. In the tenth Al site, Al(10) is bonded in a 5-coordinate geometry to one Au(1), one Au(4), one Au(5), one Au(6), and one Al(6) atom.