data_Si2GeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   5.08
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   93.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2GeAu
_chemical_formula_sum   'Si2 Ge1 Au1'
_cell_volume   70.5
_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  Si2  1  0.7  0.54  0.95  1.0
  Si  Si3  1  0.76  0.0  0.21  1.0
  Ge  Ge1  1  0.95  0.0  0.56  1.0
  Au  Au0  1  0.34  0.54  0.37  1.0

data_Si2GeAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   5.08
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   93.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2GeAu
_chemical_formula_sum   'Si2 Ge1 Au1'
_cell_volume   70.5
_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  0.7  0.54  0.95  1.0
  Si  Si1  1  0.76  0.0  0.21  1.0
  Ge  Ge2  1  0.95  0.0  0.56  1.0
  Au  Au3  1  0.34  0.54  0.37  1.0

Si Si Ge Au
AuGeSi2 crystallizes in the triclinic P1 space group. Au(1) is bonded in a 11-coordinate geometry to two equivalent Au(1), three equivalent Ge(1), three equivalent Si(1), and three equivalent Si(2) atoms. Both Au(1)-Au(1) bond lengths are 2.65 Å. There are a spread of Au(1)-Ge(1) bond distances ranging from 2.77-3.13 Å. There are a spread of Au(1)-Si(1) bond distances ranging from 2.46-3.12 Å. There are a spread of Au(1)-Si(2) bond distances ranging from 2.73-3.09 Å. Ge(1) is bonded in a distorted single-bond geometry to three equivalent Au(1) and one Si(2) atom. The Ge(1)-Si(2) bond length is 1.84 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to three equivalent Au(1), one Si(2), and two equivalent Si(1) atoms. The Si(1)-Si(2) bond length is 2.72 Å. Both Si(1)-Si(1) bond lengths are 2.65 Å. In the second Si site, Si(2) is bonded in a distorted single-bond geometry to three equivalent Au(1), one Ge(1), and one Si(1) atom.