data_Tl5Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17
_cell_length_b   9.17
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Ge4
_chemical_formula_sum   'Tl10 Ge8'
_cell_volume   462.79
_cell_formula_units_Z   2
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  Tl8  1  0.26  0.65  0.76  1.0
  Tl  Tl9  1  0.65  0.0  0.76  1.0
  Tl  Tl10  1  0.67  0.3  0.76  1.0
  Tl  Tl11  1  0.33  0.3  0.59  1.0
  Tl  Tl12  1  0.52  0.0  0.59  1.0
  Tl  Tl13  1  0.74  0.65  0.59  1.0
  Tl  Tl14  1  0.0  0.3  0.17  1.0
  Tl  Tl15  1  0.59  0.65  0.0  1.0
  Tl  Tl16  1  0.59  0.65  0.17  1.0
  Tl  Tl17  1  0.0  0.3  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.17  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.75  0.02  0.76  1.0
  Ge  Ge3  1  0.68  0.0  0.76  1.0
  Ge  Ge4  1  0.16  0.92  0.76  1.0
  Ge  Ge5  1  0.84  0.92  0.59  1.0
  Ge  Ge6  1  0.49  0.0  0.59  1.0
  Ge  Ge7  1  0.25  0.02  0.59  1.0

data_Tl5Ge4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.35
_cell_length_b   9.17
_cell_length_c   9.17
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Ge4
_chemical_formula_sum   'Tl10 Ge8'
_cell_volume   462.79
_cell_formula_units_Z   2
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  -0.0  -0.0  0.3  1.0
  Tl  Tl1  1  -0.0  0.59  0.65  1.0
  Tl  Tl2  1  0.17  -0.0  0.3  1.0
  Tl  Tl3  1  0.17  0.59  0.65  1.0
  Tl  Tl4  1  0.59  0.33  0.3  1.0
  Tl  Tl5  1  0.59  0.52  0.0  1.0
  Tl  Tl6  1  0.59  0.74  0.65  1.0
  Tl  Tl7  1  0.76  0.26  0.65  1.0
  Tl  Tl8  1  0.76  0.65  0.0  1.0
  Tl  Tl9  1  0.76  0.67  0.3  1.0
  Ge  Ge10  1  0.0  0.0  0.0  1.0
  Ge  Ge11  1  0.17  0.0  0.0  1.0
  Ge  Ge12  1  0.59  0.25  0.02  1.0
  Ge  Ge13  1  0.59  0.49  0.0  1.0
  Ge  Ge14  1  0.59  0.84  0.92  1.0
  Ge  Ge15  1  0.76  0.16  0.92  1.0
  Ge  Ge16  1  0.76  0.68  0.0  1.0
  Ge  Ge17  1  0.76  0.75  0.02  1.0

Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Ge Ge Ge Ge Ge Ge Ge Ge
Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Ge Ge Ge Ge Ge Ge Ge Ge 0 9 o o + 0 17 o + o 0 14 o o o 0 3 o o o 0 16 o + o 0 4 o + o 0 13 o + o 0 1 o + o 0 7 o o + 1 13 o o o 1 2 o o o 2 16 o o o 2 4 o o o 2 5 o o o 2 13 o o o 2 12 o o o 3 17 o o o 4 16 o o o 5 15 o o o 6 9 o o o 7 8 o o o 10 11 o o o 12 13 o o o 12 15 o - o 13 15 o - o 14 17 o + o 
Tl5Ge4 crystallizes in the triclinic P1 space group. There are ten inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 4-coordinate geometry to one Tl(10), one Tl(8), one Ge(5), and one Ge(7) atom. The Tl(1)-Tl(10) bond length is 3.27 Å. The Tl(1)-Tl(8) bond length is 3.35 Å. The Tl(1)-Ge(5) bond length is 3.09 Å. The Tl(1)-Ge(7) bond length is 3.05 Å. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Tl(3) and one Ge(4) atom. The Tl(2)-Tl(3) bond length is 2.63 Å. The Tl(2)-Ge(4) bond length is 0.28 Å. In the third Tl site, Tl(3) is bonded in a 7-coordinate geometry to one Tl(10), one Tl(2), one Tl(4), one Tl(5), one Tl(6), one Ge(3), and one Ge(7) atom. The Tl(3)-Tl(10) bond length is 3.35 Å. The Tl(3)-Tl(4) bond length is 3.38 Å. The Tl(3)-Tl(5) bond length is 2.61 Å. The Tl(3)-Tl(6) bond length is 3.16 Å. The Tl(3)-Ge(3) bond length is 2.90 Å. The Tl(3)-Ge(7) bond length is 2.63 Å. In the fourth Tl site, Tl(4) is bonded in a single-bond geometry to one Tl(3) and one Ge(8) atom. The Tl(4)-Ge(8) bond length is 2.26 Å. In the fifth Tl site, Tl(5) is bonded in a single-bond geometry to one Tl(3) and one Ge(7) atom. The Tl(5)-Ge(7) bond length is 0.28 Å. In the sixth Tl site, Tl(6) is bonded in a single-bond geometry to one Tl(3) and one Ge(6) atom. The Tl(6)-Ge(6) bond length is 2.20 Å. In the seventh Tl site, Tl(7) is bonded in an L-shaped geometry to one Tl(10) and one Ge(1) atom. The Tl(7)-Tl(10) bond length is 1.11 Å. The Tl(7)-Ge(1) bond length is 2.72 Å. In the eighth Tl site, Tl(8) is bonded in a distorted single-bond geometry to one Tl(1) and one Tl(9) atom. The Tl(8)-Tl(9) bond length is 1.11 Å. In the ninth Tl site, Tl(9) is bonded in a distorted single-bond geometry to one Tl(8) atom. In the tenth Tl site, Tl(10) is bonded in a 3-coordinate geometry to one Tl(1), one Tl(3), one Tl(7), one Ge(2), and one Ge(3) atom. The Tl(10)-Ge(2) bond length is 2.72 Å. The Tl(10)-Ge(3) bond length is 2.86 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 3-coordinate geometry to one Tl(7), one Ge(2), and one Ge(6) atom. The Ge(1)-Ge(2) bond length is 1.11 Å. The Ge(1)-Ge(6) bond length is 2.91 Å. In the second Ge site, Ge(2) is bonded in a 1-coordinate geometry to one Tl(10), one Ge(1), and one Ge(5) atom. The Ge(2)-Ge(5) bond length is 2.44 Å. In the third Ge site, Ge(3) is bonded in a single-bond geometry to one Tl(10), one Tl(3), and one Ge(4) atom. The Ge(3)-Ge(4) bond length is 0.50 Å. In the fourth Ge site, Ge(4) is bonded in a distorted bent 150 degrees geometry to one Tl(2) and one Ge(3) atom. In the fifth Ge site, Ge(5) is bonded in a 3-coordinate geometry to one Tl(1), one Ge(2), and one Ge(8) atom. The Ge(5)-Ge(8) bond length is 1.43 Å. In the sixth Ge site, Ge(6) is bonded in a 1-coordinate geometry to one Tl(6) and one Ge(1) atom. In the seventh Ge site, Ge(7) is bonded in a single-bond geometry to one Tl(1), one Tl(3), one Tl(5), and one Ge(8) atom. The Ge(7)-Ge(8) bond length is 2.28 Å. In the eighth Ge site, Ge(8) is bonded in a distorted trigonal non-coplanar geometry to one Tl(4), one Ge(5), and one Ge(7) atom.