data_BiB2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiB2Au
_chemical_formula_sum   'Bi1 B2 Au1'
_cell_volume   72.44
_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
  Bi  Bi3  1  0.67  0.67  0.43  1.0
  B  B1  1  0.67  0.67  0.27  1.0
  B  B2  1  0.0  0.0  0.57  1.0
  Au  Au0  1  0.0  0.0  0.9  1.0

data_BiB2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiB2Au
_chemical_formula_sum   'Bi2 B4 Au2'
_cell_volume   144.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Bi0  2  0.17  0.5  0.43  1.0
  B  B1  2  0.0  0.0  0.57  1.0
  B  B2  2  0.17  0.5  0.27  1.0
  Au  Au3  2  0.0  0.0  0.9  1.0

Bi B B Au
Bi B B Au 0 1 o o o 0 2 + + o 2 3 o o o 
AuB2Bi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two AuB2Bi clusters. Au(1) is bonded in a distorted single-bond geometry to one B(2) atom. The Au(1)-B(2) bond length is 2.10 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one Bi(1) atom. The B(1)-Bi(1) bond length is 1.04 Å. In the second B site, B(2) is bonded in a distorted bent 120 degrees geometry to one Au(1) and one Bi(1) atom. The B(2)-Bi(1) bond length is 1.79 Å. Bi(1) is bonded in a 2-coordinate geometry to one B(1) and one B(2) atom.