data_Ir5Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11
_cell_length_b   8.11
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir5Au3
_chemical_formula_sum   'Ir10 Au6'
_cell_volume   274.51
_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
  Ir  Ir6  1  0.25  0.3  0.2  1.0
  Ir  Ir7  1  0.69  0.73  0.61  1.0
  Ir  Ir8  1  0.5  0.0  0.2  1.0
  Ir  Ir9  1  0.75  0.3  0.61  1.0
  Ir  Ir10  1  0.0  0.68  0.0  1.0
  Ir  Ir11  1  0.0  0.68  0.41  1.0
  Ir  Ir12  1  0.06  0.34  0.0  1.0
  Ir  Ir13  1  0.06  0.34  0.41  1.0
  Ir  Ir14  1  0.62  0.0  0.61  1.0
  Ir  Ir15  1  0.31  0.73  0.2  1.0
  Au  Au0  1  0.4  0.78  0.61  1.0
  Au  Au1  1  0.55  0.25  0.2  1.0
  Au  Au2  1  0.2  0.0  0.61  1.0
  Au  Au3  1  0.6  0.78  0.2  1.0
  Au  Au4  1  0.91  0.0  0.2  1.0
  Au  Au5  1  0.45  0.25  0.61  1.0

data_Ir5Au3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.82
_cell_length_b   8.11
_cell_length_c   8.11
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir5Au3
_chemical_formula_sum   'Ir10 Au6'
_cell_volume   274.51
_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
  Ir  Ir0  1  -0.0  0.0  0.68  1.0
  Ir  Ir1  1  0.0  0.06  0.34  1.0
  Ir  Ir2  1  0.2  0.25  0.3  1.0
  Ir  Ir3  1  0.2  0.31  0.73  1.0
  Ir  Ir4  1  0.2  0.5  0.0  1.0
  Ir  Ir5  1  0.41  0.0  0.68  1.0
  Ir  Ir6  1  0.41  0.06  0.34  1.0
  Ir  Ir7  1  0.61  0.62  0.0  1.0
  Ir  Ir8  1  0.61  0.69  0.73  1.0
  Ir  Ir9  1  0.61  0.75  0.3  1.0
  Au  Au10  1  0.2  0.55  0.25  1.0
  Au  Au11  1  0.2  0.6  0.78  1.0
  Au  Au12  1  0.2  0.91  0.0  1.0
  Au  Au13  1  0.61  0.2  0.0  1.0
  Au  Au14  1  0.61  0.4  0.78  1.0
  Au  Au15  1  0.61  0.45  0.25  1.0

Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Au Au Au Au Au Au
Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Au Au Au Au Au Au 0 6 o o o 0 7 o o o 0 14 - o o 1 13 o o o 1 8 o + o 1 10 o o o 1 5 + o o 1 14 o + o 2 9 o - o 2 11 o o o 2 8 o o o 2 13 o - o 3 11 o o o 3 15 o o o 3 8 o o o 3 7 + o o 4 5 o o o 6 7 o o o 6 14 - o o 7 14 - o o 8 10 o - o 8 13 o - o 9 13 o o o 9 10 o o o 10 13 o o o 11 15 o o o 12 15 o o o 13 14 o + o 
Ir5Au3 crystallizes in the triclinic P1 space group. There are ten inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 5-coordinate geometry to one Ir(7), one Ir(8), one Au(2), one Au(5), and one Au(6) atom. The Ir(1)-Ir(7) bond length is 2.06 Å. The Ir(1)-Ir(8) bond length is 2.06 Å. The Ir(1)-Au(2) bond length is 2.60 Å. The Ir(1)-Au(5) bond length is 2.62 Å. The Ir(1)-Au(6) bond length is 2.70 Å. In the second Ir site, Ir(2) is bonded in a 1-coordinate geometry to two equivalent Au(4) and two equivalent Au(5) atoms. There is one shorter (2.20 Å) and one longer (3.01 Å) Ir(2)-Au(4) bond length. There is one shorter (2.81 Å) and one longer (3.48 Å) Ir(2)-Au(5) bond length. In the third Ir site, Ir(3) is bonded in a distorted single-bond geometry to one Au(2), one Au(4), and one Au(5) atom. The Ir(3)-Au(2) bond length is 1.85 Å. The Ir(3)-Au(4) bond length is 2.37 Å. The Ir(3)-Au(5) bond length is 3.33 Å. In the fourth Ir site, Ir(4) is bonded in a 3-coordinate geometry to one Ir(7), one Ir(8), one Ir(9), one Au(2), and one Au(6) atom. The Ir(4)-Ir(7) bond length is 2.98 Å. The Ir(4)-Ir(8) bond length is 2.53 Å. The Ir(4)-Ir(9) bond length is 2.08 Å. The Ir(4)-Au(2) bond length is 2.46 Å. The Ir(4)-Au(6) bond length is 2.23 Å. In the fifth Ir site, Ir(5) is bonded in a 2-coordinate geometry to one Ir(6), one Ir(7), one Au(3), and one Au(5) atom. The Ir(5)-Ir(6) bond length is 1.97 Å. The Ir(5)-Ir(7) bond length is 3.02 Å. The Ir(5)-Au(3) bond length is 2.93 Å. The Ir(5)-Au(5) bond length is 3.18 Å. In the sixth Ir site, Ir(6) is bonded in a 2-coordinate geometry to one Ir(5), one Ir(8), one Au(3), and one Au(5) atom. The Ir(6)-Ir(8) bond length is 3.02 Å. The Ir(6)-Au(3) bond length is 2.46 Å. The Ir(6)-Au(5) bond length is 3.18 Å. In the seventh Ir site, Ir(7) is bonded in a 7-coordinate geometry to one Ir(1), one Ir(10), one Ir(4), one Ir(5), two equivalent Ir(8), and one Au(5) atom. The Ir(7)-Ir(10) bond length is 2.93 Å. There is one shorter (1.97 Å) and one longer (2.85 Å) Ir(7)-Ir(8) bond length. The Ir(7)-Au(5) bond length is 2.60 Å. In the eighth Ir site, Ir(8) is bonded in a 8-coordinate geometry to one Ir(1), one Ir(10), one Ir(4), one Ir(6), two equivalent Ir(7), one Au(1), and one Au(5) atom. The Ir(8)-Ir(10) bond length is 2.93 Å. The Ir(8)-Au(1) bond length is 3.36 Å. The Ir(8)-Au(5) bond length is 2.60 Å. In the ninth Ir site, Ir(9) is bonded in a distorted single-bond geometry to one Ir(4), one Au(1), one Au(4), and one Au(5) atom. The Ir(9)-Au(1) bond length is 1.79 Å. The Ir(9)-Au(4) bond length is 2.65 Å. The Ir(9)-Au(5) bond length is 3.08 Å. In the tenth Ir site, Ir(10) is bonded in a 2-coordinate geometry to one Ir(7), one Ir(8), one Au(1), and one Au(4) atom. The Ir(10)-Au(1) bond length is 2.07 Å. The Ir(10)-Au(4) bond length is 2.23 Å. There are six inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted water-like geometry to one Ir(10), one Ir(8), and one Ir(9) atom. In the second Au site, Au(2) is bonded in a distorted single-bond geometry to one Ir(1), one Ir(3), one Ir(4), and one Au(6) atom. The Au(2)-Au(6) bond length is 2.11 Å. In the third Au site, Au(3) is bonded in a 3-coordinate geometry to one Ir(5), one Ir(6), one Au(5), and one Au(6) atom. The Au(3)-Au(5) bond length is 3.12 Å. The Au(3)-Au(6) bond length is 2.02 Å. In the fourth Au site, Au(4) is bonded in a 6-coordinate geometry to one Ir(10), one Ir(3), one Ir(9), two equivalent Ir(2), and one Au(5) atom. The Au(4)-Au(5) bond length is 2.22 Å. In the fifth Au site, Au(5) is bonded in a 11-coordinate geometry to one Ir(1), one Ir(3), one Ir(5), one Ir(6), one Ir(7), one Ir(8), one Ir(9), two equivalent Ir(2), one Au(3), and one Au(4) atom. In the sixth Au site, Au(6) is bonded in a 4-coordinate geometry to one Ir(1), one Ir(4), one Au(2), and one Au(3) atom.