data_BiAsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAsAu2
_chemical_formula_sum   'Bi1 As1 Au2'
_cell_volume   87.71
_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
  Bi  Bi3  1  0.29  0.29  0.29  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.53  0.53  0.53  1.0
  Au  Au2  1  0.76  0.76  0.76  1.0

data_BiAsAu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   12.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BiAsAu2
_chemical_formula_sum   'Bi3 As3 Au6'
_cell_volume   263.13
_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
  Bi  Bi0  3  0.0  0.0  0.71  1.0
  As  As1  3  0.0  0.0  0.0  1.0
  Au  Au2  3  0.0  0.0  0.24  1.0
  Au  Au3  3  0.0  0.0  0.47  1.0

Bi As Au Au
Au2BiAs crystallizes in the trigonal R3m space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 4-coordinate geometry to four equivalent Au(2) and four equivalent Bi(1) atoms. There is one shorter (2.89 Å) and three longer (3.11 Å) Au(1)-Au(2) bond lengths. There is one shorter (2.89 Å) and three longer (3.11 Å) Au(1)-Bi(1) bond lengths. In the second Au site, Au(2) is bonded in a 11-coordinate geometry to four equivalent Au(1), three equivalent Bi(1), and four equivalent As(1) atoms. All Au(2)-Bi(1) bond lengths are 3.35 Å. There is one shorter (2.89 Å) and three longer (3.11 Å) Au(2)-As(1) bond lengths. Bi(1) is bonded in a 10-coordinate geometry to three equivalent Au(2), four equivalent Au(1), and three equivalent As(1) atoms. All Bi(1)-As(1) bond lengths are 2.93 Å. As(1) is bonded in a 7-coordinate geometry to four equivalent Au(2) and three equivalent Bi(1) atoms.