data_ZnGe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGe2Au
_chemical_formula_sum   'Zn1 Ge2 Au1'
_cell_volume   73.61
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.66  0.66  1.0  1.0
  Ge  Ge2  1  0.66  0.66  0.67  1.0
  Au  Au0  1  0.0  0.0  0.33  1.0

data_ZnGe2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnGe2Au
_chemical_formula_sum   'Zn2 Ge4 Au2'
_cell_volume   147.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.16  0.5  0.67  1.0
  Ge  Ge2  2  0.16  0.5  1.0  1.0
  Au  Au3  2  0.0  0.0  0.33  1.0

Zn Ge Ge Au
Zn Ge Ge Au 0 1 - - - 0 3 o o o 1 2 o o o 
AuZnGe2 crystallizes in the monoclinic Cm space group. Au(1) is bonded in a 2-coordinate geometry to one Zn(1) and one Ge(2) atom. The Au(1)-Zn(1) bond length is 2.21 Å. The Au(1)-Ge(2) bond length is 2.75 Å. Zn(1) is bonded in a 4-coordinate geometry to one Au(1), one Ge(2), and three equivalent Ge(1) atoms. The Zn(1)-Ge(2) bond length is 2.73 Å. There is one shorter (1.59 Å) and two longer (2.47 Å) Zn(1)-Ge(1) bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted single-bond geometry to three equivalent Zn(1) and one Ge(2) atom. The Ge(1)-Ge(2) bond length is 2.19 Å. In the second Ge site, Ge(2) is bonded in a 3-coordinate geometry to one Au(1), one Zn(1), and one Ge(1) atom.