data_SiB2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   2.74
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   94.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiB2Au
_chemical_formula_sum   'Si1 B2 Au1'
_cell_volume   50.18
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  B  B1  1  0.07  0.37  0.24  1.0
  B  B2  1  0.22  0.37  0.76  1.0
  Au  Au0  1  0.65  0.0  0.5  1.0

data_SiB2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   3.67
_cell_length_c   5.02
_cell_angle_alpha   94.3
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiB2Au
_chemical_formula_sum   'Si1 B2 Au1'
_cell_volume   50.18
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.63  0.78  0.24  1.0
  B  B2  1  0.63  0.93  0.76  1.0
  Au  Au3  1  0.0  0.35  0.5  1.0

Si B B Au
AuB2Si crystallizes in the triclinic P1 space group. Au(1) is bonded in a 7-coordinate geometry to three equivalent B(1), three equivalent B(2), and one Si(1) atom. There are a spread of Au(1)-B(1) bond distances ranging from 2.34-2.73 Å. There are a spread of Au(1)-B(2) bond distances ranging from 2.34-2.73 Å. The Au(1)-Si(1) bond length is 2.73 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 1-coordinate geometry to three equivalent Au(1) and two equivalent Si(1) atoms. There is one shorter (1.57 Å) and one longer (2.11 Å) B(1)-Si(1) bond length. In the second B site, B(2) is bonded in a 5-coordinate geometry to three equivalent Au(1) and two equivalent Si(1) atoms. There is one shorter (1.80 Å) and one longer (2.28 Å) B(2)-Si(1) bond length. Si(1) is bonded in a 5-coordinate geometry to one Au(1), two equivalent B(1), and two equivalent B(2) atoms.