data_AgAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgAu2
_chemical_formula_sum   'Ag4 Au8'
_cell_volume   235.32
_cell_formula_units_Z   4
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
  Ag  Ag0  1  0.0  0.2  0.43  1.0
  Ag  Ag1  1  0.0  0.2  1.0  1.0
  Ag  Ag2  1  0.77  0.6  0.86  1.0
  Ag  Ag3  1  0.77  0.6  0.43  1.0
  Au  Au4  1  0.0  0.0  0.0  1.0
  Au  Au5  1  0.0  0.0  0.43  1.0
  Au  Au6  1  0.0  0.64  0.64  1.0
  Au  Au7  1  0.65  0.98  0.64  1.0
  Au  Au8  1  0.42  0.82  0.21  1.0
  Au  Au9  1  0.35  0.98  0.64  1.0
  Au  Au10  1  0.12  0.82  0.21  1.0
  Au  Au11  1  0.77  0.16  0.21  1.0

data_AgAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgAu2
_chemical_formula_sum   'Ag4 Au8'
_cell_volume   235.32
_cell_formula_units_Z   4
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
  Ag  Ag0  1  -0.0  0.2  0.43  1.0
  Ag  Ag1  1  -0.0  0.2  1.0  1.0
  Ag  Ag2  1  0.77  0.6  0.43  1.0
  Ag  Ag3  1  0.77  0.6  0.86  1.0
  Au  Au4  1  -0.0  0.64  0.64  1.0
  Au  Au5  1  0.0  0.0  0.0  1.0
  Au  Au6  1  0.0  0.0  0.43  1.0
  Au  Au7  1  0.12  0.82  0.21  1.0
  Au  Au8  1  0.35  0.98  0.64  1.0
  Au  Au9  1  0.42  0.82  0.21  1.0
  Au  Au10  1  0.65  0.98  0.64  1.0
  Au  Au11  1  0.77  0.16  0.21  1.0

Ag Ag Ag Ag Au Au Au Au Au Au Au Au
Au2Ag crystallizes in the triclinic P1 space group. There are eight inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted single-bond geometry to one Au(7), one Ag(2), and one Ag(3) atom. The Au(1)-Au(7) bond length is 2.39 Å. The Au(1)-Ag(2) bond length is 1.09 Å. The Au(1)-Ag(3) bond length is 2.29 Å. In the second Au site, Au(2) is bonded in a distorted bent 150 degrees geometry to one Au(7), one Ag(1), and one Ag(4) atom. The Au(2)-Au(7) bond length is 2.39 Å. The Au(2)-Ag(1) bond length is 1.09 Å. The Au(2)-Ag(4) bond length is 1.93 Å. In the third Au site, Au(3) is bonded in a 2-coordinate geometry to one Au(6), one Ag(3), and one Ag(4) atom. The Au(3)-Au(6) bond length is 1.91 Å. The Au(3)-Ag(3) bond length is 2.26 Å. The Au(3)-Ag(4) bond length is 2.26 Å. In the fourth Au site, Au(4) is bonded in a 3-coordinate geometry to one Au(6), one Ag(1), and one Ag(3) atom. The Au(4)-Au(6) bond length is 1.66 Å. The Au(4)-Ag(1) bond length is 2.53 Å. The Au(4)-Ag(3) bond length is 3.15 Å. In the fifth Au site, Au(5) is bonded in a 3-coordinate geometry to one Au(7), one Au(8), and one Ag(4) atom. The Au(5)-Au(7) bond length is 1.66 Å. The Au(5)-Au(8) bond length is 1.91 Å. The Au(5)-Ag(4) bond length is 3.34 Å. In the sixth Au site, Au(6) is bonded in a distorted bent 120 degrees geometry to one Au(3) and one Au(4) atom. In the seventh Au site, Au(7) is bonded in a 4-coordinate geometry to one Au(1), one Au(2), one Au(5), and one Ag(4) atom. The Au(7)-Ag(4) bond length is 2.53 Å. In the eighth Au site, Au(8) is bonded in a 4-coordinate geometry to one Au(5), one Ag(1), one Ag(2), and one Ag(4) atom. The Au(8)-Ag(1) bond length is 2.26 Å. The Au(8)-Ag(2) bond length is 2.26 Å. The Au(8)-Ag(4) bond length is 3.08 Å. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted single-bond geometry to one Au(2), one Au(4), and one Au(8) atom. In the second Ag site, Ag(2) is bonded in a distorted single-bond geometry to one Au(1) and one Au(8) atom. In the third Ag site, Ag(3) is bonded in a distorted water-like geometry to one Au(1), one Au(3), and one Au(4) atom. In the fourth Ag site, Ag(4) is bonded in a 2-coordinate geometry to one Au(2), one Au(3), one Au(5), one Au(7), and one Au(8) atom.