data_BaB2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   51.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaB2Au
_chemical_formula_sum   'Ba1 B2 Au1'
_cell_volume   85.89
_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
  Ba  Ba3  1  0.35  0.0  0.22  1.0
  B  B1  1  0.0  0.0  0.22  1.0
  B  B2  1  0.0  0.0  0.78  1.0
  Au  Au0  1  0.0  0.0  0.9  1.0

data_BaB2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.71
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   115.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaB2Au
_chemical_formula_sum   'Ba1 B2 Au1'
_cell_volume   85.89
_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
  Ba  Ba0  1  0.78  0.35  0.78  1.0
  B  B1  1  0.22  0.0  0.22  1.0
  B  B2  1  0.78  0.0  0.78  1.0
  Au  Au3  1  0.1  0.0  0.1  1.0

Ba B B Au
BaAuB2 is Hg_xSn structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaAuB2 cluster. Ba(1) is bonded in a distorted single-bond geometry to one B(1) atom. The Ba(1)-B(1) bond length is 1.66 Å. Au(1) is bonded in a distorted linear geometry to one B(1) and one B(2) atom. The Au(1)-B(1) bond length is 1.54 Å. The Au(1)-B(2) bond length is 0.59 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a distorted L-shaped geometry to one Ba(1) and one Au(1) atom. In the second B site, B(2) is bonded in a single-bond geometry to one Au(1) atom.