data_SiB2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   5.11
_cell_angle_alpha   90.0
_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   46.3
_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  0.51  0.51  0.3  1.0
  B  B2  1  0.51  0.51  0.8  1.0
  Au  Au0  1  0.0  0.0  0.55  1.0

data_SiB2Au
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   SiB2Au
_chemical_formula_sum   'Si1 B2 Au1'
_cell_volume   46.3
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  0.5  0.5  0.3  1.0
  B  B2  1  0.5  0.5  0.8  1.0
  Au  Au3  1  0.0  0.0  0.55  1.0

Si B B Au
AuB2Si crystallizes in the monoclinic Cm space group. Au(1) is bonded in a 10-coordinate geometry to four equivalent B(1), four equivalent B(2), and two equivalent Si(1) atoms. There are a spread of Au(1)-B(1) bond distances ranging from 2.46-2.50 Å. There are a spread of Au(1)-B(2) bond distances ranging from 2.46-2.50 Å. There is one shorter (2.28 Å) and one longer (2.82 Å) Au(1)-Si(1) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 4-coordinate geometry to four equivalent Au(1) and four equivalent Si(1) atoms. There are a spread of B(1)-Si(1) bond distances ranging from 2.62-2.65 Å. In the second B site, B(2) is bonded in a body-centered cubic geometry to four equivalent Au(1) and four equivalent Si(1) atoms. There are a spread of B(2)-Si(1) bond distances ranging from 2.33-2.38 Å. Si(1) is bonded in a 10-coordinate geometry to two equivalent Au(1), four equivalent B(1), and four equivalent B(2) atoms.