data_GeB2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   3.23
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeB2Au
_chemical_formula_sum   'Ge1 B2 Au1'
_cell_volume   53.87
_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
  Ge  Ge3  1  0.0  0.0  0.74  1.0
  B  B1  1  0.0  0.0  0.2  1.0
  B  B2  1  0.5  0.61  0.39  1.0
  Au  Au0  1  0.5  0.61  0.62  1.0

data_GeB2Au
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.23
_cell_length_b   2.99
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   GeB2Au
_chemical_formula_sum   'Ge1 B2 Au1'
_cell_volume   53.87
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ge  Ge0  1  0.0  0.0  0.74  1.0
  B  B1  1  0.0  0.0  0.2  1.0
  B  B2  1  0.61  0.5  0.39  1.0
  Au  Au3  1  0.61  0.5  0.62  1.0

Ge B B Au
AuB2Ge crystallizes in the triclinic P1 space group. Au(1) is bonded in a 1-coordinate geometry to one B(2) and four equivalent Ge(1) atoms. The Au(1)-B(2) bond length is 1.30 Å. There are a spread of Au(1)-Ge(1) bond distances ranging from 2.04-2.57 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent B(2) and one Ge(1) atom. There is one shorter (2.20 Å) and one longer (2.22 Å) B(1)-B(2) bond length. The B(1)-Ge(1) bond length is 2.59 Å. In the second B site, B(2) is bonded in a single-bond geometry to one Au(1) and two equivalent B(1) atoms. Ge(1) is bonded in a 5-coordinate geometry to four equivalent Au(1) and one B(1) atom.