data_Ge2SbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2SbAu
_chemical_formula_sum   'Ge2 Sb1 Au1'
_cell_volume   84.61
_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  Ge1  1  0.23  0.23  0.23  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.48  0.48  0.48  1.0
  Au  Au0  1  0.74  0.74  0.74  1.0

data_Ge2SbAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   12.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ge2SbAu
_chemical_formula_sum   'Ge6 Sb3 Au3'
_cell_volume   253.84
_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
  Ge  Ge1  3  0.0  0.0  0.77  1.0
  Sb  Sb2  3  0.0  0.0  0.52  1.0
  Au  Au3  3  0.0  0.0  0.26  1.0

Ge Ge Sb Au
Ge Ge Sb Au 0 1 o o o 0 1 o o + 0 1 + o o 0 1 o + o 0 3 - - o 0 3 - o - 0 3 - o o 0 3 o - - 0 3 o - o 0 3 o o - 0 2 - o o 0 2 o - o 0 2 o o - 0 2 o o o 1 2 - - o 1 2 - o - 1 2 - o o 1 2 o - - 1 2 o - o 1 2 o o - 1 3 - - - 1 3 - - o 1 3 - o - 1 3 o - - 2 3 - o o 2 3 o - o 2 3 o o - 2 3 o o o 
AuGe2Sb crystallizes in the trigonal R3m space group. Au(1) is bonded in a body-centered cubic geometry to four equivalent Ge(2) and four equivalent Sb(1) atoms. There are three shorter (2.99 Å) and one longer (3.11 Å) Au(1)-Ge(2) bond length. There are three shorter (2.99 Å) and one longer (3.11 Å) Au(1)-Sb(1) bond length. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 5-coordinate geometry to one Ge(2) and four equivalent Sb(1) atoms. The Ge(1)-Ge(2) bond length is 2.74 Å. There are three shorter (2.99 Å) and one longer (3.11 Å) Ge(1)-Sb(1) bond length. In the second Ge site, Ge(2) is bonded in a 5-coordinate geometry to four equivalent Au(1) and one Ge(1) atom. Sb(1) is bonded in a distorted body-centered cubic geometry to four equivalent Au(1) and four equivalent Ge(1) atoms.