data_GeSbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSbAu2
_chemical_formula_sum   'Ge1 Sb1 Au2'
_cell_volume   83.61
_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  Ge2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.21  0.21  0.21  1.0
  Au  Au0  1  0.47  0.47  0.47  1.0
  Au  Au1  1  0.74  0.74  0.74  1.0

data_GeSbAu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   12.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GeSbAu2
_chemical_formula_sum   'Ge3 Sb3 Au6'
_cell_volume   250.84
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Sb  Sb1  3  0.0  0.0  0.79  1.0
  Au  Au2  3  0.0  0.0  0.26  1.0
  Au  Au3  3  0.0  0.0  0.53  1.0

Ge Sb Au Au
Au2GeSb crystallizes in the trigonal R3m space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 11-coordinate geometry to four equivalent Au(2), three equivalent Ge(1), and four equivalent Sb(1) atoms. There are three shorter (2.95 Å) and one longer (3.18 Å) Au(1)-Au(2) bond length. All Au(1)-Ge(1) bond lengths are 3.28 Å. There are three shorter (2.95 Å) and one longer (3.18 Å) Au(1)-Sb(1) bond length. In the second Au site, Au(2) is bonded in a 11-coordinate geometry to four equivalent Au(1), four equivalent Ge(1), and three equivalent Sb(1) atoms. There are three shorter (2.95 Å) and one longer (3.18 Å) Au(2)-Ge(1) bond length. All Au(2)-Sb(1) bond lengths are 3.28 Å. Ge(1) is bonded in a 11-coordinate geometry to three equivalent Au(1), four equivalent Au(2), and four equivalent Sb(1) atoms. There is one shorter (2.48 Å) and three longer (3.22 Å) Ge(1)-Sb(1) bond lengths. Sb(1) is bonded in a 11-coordinate geometry to three equivalent Au(2), four equivalent Au(1), and four equivalent Ge(1) atoms.