data_BiAu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAu2Cl
_chemical_formula_sum   'Bi1 Au2 Cl1'
_cell_volume   88.84
_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  Bi2  1  0.77  0.77  0.77  1.0
  Au  Au0  1  0.31  0.31  0.31  1.0
  Au  Au1  1  0.54  0.54  0.54  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

data_BiAu2Cl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   12.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BiAu2Cl
_chemical_formula_sum   'Bi3 Au6 Cl3'
_cell_volume   266.53
_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  0.23  1.0
  Au  Au1  3  0.0  0.0  0.46  1.0
  Au  Au2  3  0.0  0.0  0.69  1.0
  Cl  Cl3  3  0.0  0.0  -0.0  1.0

Bi Au Au Cl
Au2BiCl crystallizes in the trigonal R3m space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 3-coordinate geometry to four equivalent Au(2), three equivalent Bi(1), and three equivalent Cl(1) atoms. There is one shorter (2.81 Å) and three longer (3.16 Å) Au(1)-Au(2) bond lengths. All Au(1)-Bi(1) bond lengths are 3.27 Å. All Au(1)-Cl(1) bond lengths are 2.90 Å. In the second Au site, Au(2) is bonded in a 8-coordinate geometry to four equivalent Au(1) and four equivalent Bi(1) atoms. There is one shorter (2.81 Å) and three longer (3.16 Å) Au(2)-Bi(1) bond lengths. Bi(1) is bonded in a 11-coordinate geometry to three equivalent Au(1), four equivalent Au(2), and four equivalent Cl(1) atoms. There is one shorter (2.81 Å) and three longer (3.16 Å) Bi(1)-Cl(1) bond lengths. Cl(1) is bonded in a 7-coordinate geometry to three equivalent Au(1) and four equivalent Bi(1) atoms.