data_TlGe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGe2Au
_chemical_formula_sum   'Tl1 Ge2 Au1'
_cell_volume   88.55
_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
  Tl  Tl3  1  0.69  0.69  0.98  1.0
  Ge  Ge1  1  0.69  0.69  0.66  1.0
  Ge  Ge2  1  0.0  0.0  0.54  1.0
  Au  Au0  1  0.0  0.0  0.16  1.0

data_TlGe2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlGe2Au
_chemical_formula_sum   'Tl2 Ge4 Au2'
_cell_volume   177.11
_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
  Tl  Tl0  2  0.19  0.5  0.98  1.0
  Ge  Ge1  2  0.0  0.0  0.54  1.0
  Ge  Ge2  2  0.19  0.5  0.66  1.0
  Au  Au3  2  0.0  0.0  0.16  1.0

Tl Ge Ge Au
Tl Ge Ge Au 0 3 + + + 1 2 + + o 
AuTlGe2 crystallizes in the monoclinic Cm space group. Au(1) is bonded in a distorted single-bond geometry to three equivalent Tl(1) and one Ge(2) atom. There is one shorter (2.03 Å) and two longer (2.92 Å) Au(1)-Tl(1) bond lengths. The Au(1)-Ge(2) bond length is 2.90 Å. Tl(1) is bonded in a 4-coordinate geometry to three equivalent Au(1) and one Ge(1) atom. The Tl(1)-Ge(1) bond length is 2.48 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted bent 120 degrees geometry to one Tl(1) and three equivalent Ge(2) atoms. There is one shorter (1.76 Å) and two longer (2.74 Å) Ge(1)-Ge(2) bond lengths. In the second Ge site, Ge(2) is bonded in a distorted bent 120 degrees geometry to one Au(1) and three equivalent Ge(1) atoms.