data_Ag2AuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2AuBr
_chemical_formula_sum   'Ag2 Au1 Br1'
_cell_volume   81.44
_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
  Ag  Ag0  1  0.72  0.72  0.72  1.0
  Ag  Ag1  1  0.44  0.44  0.44  1.0
  Au  Au2  1  0.16  0.16  0.16  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

data_Ag2AuBr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   11.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ag2AuBr
_chemical_formula_sum   'Ag6 Au3 Br3'
_cell_volume   244.32
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.28  1.0
  Ag  Ag1  3  0.0  0.0  0.56  1.0
  Au  Au2  3  0.0  0.0  0.84  1.0
  Br  Br3  3  0.0  0.0  0.0  1.0

Ag Ag Au Br
Ag Ag Au Br 0 1 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 3 o + + 0 3 + o + 0 3 + + o 0 3 + + + 0 2 o + + 0 2 + o + 0 2 + + o 1 2 o o o 1 2 o o + 1 2 o + o 1 2 + o o 1 3 o o + 1 3 o + o 1 3 + o o 2 3 o o o 
AuAg2Br crystallizes in the trigonal R3m space group. Au(1) is bonded in a distorted single-bond geometry to four equivalent Ag(2) and one Br(1) atom. There are three shorter (2.88 Å) and one longer (3.33 Å) Au(1)-Ag(2) bond length. The Au(1)-Br(1) bond length is 1.91 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 3-coordinate geometry to four equivalent Ag(2) and three equivalent Br(1) atoms. There are three shorter (2.88 Å) and one longer (3.33 Å) Ag(1)-Ag(2) bond length. All Ag(1)-Br(1) bond lengths are 2.88 Å. In the second Ag site, Ag(2) is bonded in a 11-coordinate geometry to four equivalent Au(1), four equivalent Ag(1), and three equivalent Br(1) atoms. All Ag(2)-Br(1) bond lengths are 3.09 Å. Br(1) is bonded in a distorted single-bond geometry to one Au(1), three equivalent Ag(1), and three equivalent Ag(2) atoms.