data_Tl2GeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   4.66
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   106.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GeAu
_chemical_formula_sum   'Tl2 Ge1 Au1'
_cell_volume   104.42
_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  Tl2  1  0.5  0.33  0.65  1.0
  Tl  Tl3  1  0.23  0.0  0.68  1.0
  Ge  Ge1  1  0.25  0.0  0.21  1.0
  Au  Au0  1  0.58  0.33  0.04  1.0

data_Tl2GeAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.66
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   106.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GeAu
_chemical_formula_sum   'Tl2 Ge1 Au1'
_cell_volume   104.42
_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  Tl0  1  0.23  0.0  0.68  1.0
  Tl  Tl1  1  0.5  0.33  0.65  1.0
  Ge  Ge2  1  0.25  0.0  0.21  1.0
  Au  Au3  1  0.58  0.33  0.04  1.0

Tl Tl Ge Au
AuTl2Ge crystallizes in the triclinic P1 space group. Au(1) is bonded in a 4-coordinate geometry to one Tl(1), one Tl(2), and two equivalent Ge(1) atoms. The Au(1)-Tl(1) bond length is 2.34 Å. The Au(1)-Tl(2) bond length is 2.74 Å. There is one shorter (2.36 Å) and one longer (2.95 Å) Au(1)-Ge(1) bond length. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one Au(1), three equivalent Tl(2), and one Ge(1) atom. There are a spread of Tl(1)-Tl(2) bond distances ranging from 1.89-3.30 Å. The Tl(1)-Ge(1) bond length is 3.01 Å. In the second Tl site, Tl(2) is bonded in a 6-coordinate geometry to one Au(1), three equivalent Tl(1), and two equivalent Ge(1) atoms. There is one shorter (2.89 Å) and one longer (3.19 Å) Tl(2)-Ge(1) bond length. Ge(1) is bonded to two equivalent Au(1), one Tl(1), and two equivalent Tl(2) atoms to form distorted corner-sharing GeTl3Au2 trigonal bipyramids.