data_Tl3Zn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22
_cell_length_b   9.22
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Zn5
_chemical_formula_sum   'Tl6 Zn10'
_cell_volume   362.51
_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  0.26  0.02  0.69  1.0
  Tl  Tl1  1  0.13  0.97  0.23  1.0
  Tl  Tl2  1  0.87  0.97  0.69  1.0
  Tl  Tl3  1  0.48  0.0  0.69  1.0
  Tl  Tl4  1  0.74  0.0  0.23  1.0
  Tl  Tl5  1  0.74  0.02  0.23  1.0
  Zn  Zn6  1  0.61  0.66  0.46  1.0
  Zn  Zn7  1  0.0  0.32  0.0  1.0
  Zn  Zn8  1  0.0  0.32  0.46  1.0
  Zn  Zn9  1  0.61  0.66  0.0  1.0
  Zn  Zn10  1  0.18  0.61  0.69  1.0
  Zn  Zn11  1  0.21  0.37  0.23  1.0
  Zn  Zn12  1  0.79  0.37  0.69  1.0
  Zn  Zn13  1  0.63  0.0  0.69  1.0
  Zn  Zn14  1  0.59  0.0  0.23  1.0
  Zn  Zn15  1  0.82  0.61  0.23  1.0

data_Tl3Zn5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.93
_cell_length_b   9.22
_cell_length_c   9.22
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Zn5
_chemical_formula_sum   'Tl6 Zn10'
_cell_volume   362.51
_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  0.23  0.13  0.97  1.0
  Tl  Tl1  1  0.23  0.74  0.0  1.0
  Tl  Tl2  1  0.23  0.74  0.02  1.0
  Tl  Tl3  1  0.69  0.26  0.02  1.0
  Tl  Tl4  1  0.69  0.48  0.0  1.0
  Tl  Tl5  1  0.69  0.87  0.97  1.0
  Zn  Zn6  1  0.0  0.0  0.32  1.0
  Zn  Zn7  1  0.0  0.61  0.66  1.0
  Zn  Zn8  1  0.23  0.21  0.37  1.0
  Zn  Zn9  1  0.23  0.59  0.0  1.0
  Zn  Zn10  1  0.23  0.82  0.61  1.0
  Zn  Zn11  1  0.46  0.0  0.32  1.0
  Zn  Zn12  1  0.46  0.61  0.66  1.0
  Zn  Zn13  1  0.69  0.18  0.61  1.0
  Zn  Zn14  1  0.69  0.63  0.0  1.0
  Zn  Zn15  1  0.69  0.79  0.37  1.0

Tl Tl Tl Tl Tl Tl Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn
Tl Tl Tl Tl Tl Tl Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn 0 1 o - o 0 1 o - + 0 3 o o o 1 15 - o o 2 6 o o o 2 9 o o + 2 8 + + o 2 5 o + o 2 5 o + + 2 4 o + o 2 4 o + + 2 13 o + o 3 13 o o o 3 10 o - o 3 12 o o o 4 5 o o o 4 14 o o o 5 14 o o o 6 15 o o o 6 9 o o o 6 9 o o + 7 11 o o o 7 8 o o o 7 8 o o - 7 10 o o - 7 12 - o - 8 12 - o o 8 11 o o o 8 10 o o o 9 15 o o o 10 12 - o o 10 11 o o o 12 15 o o o 12 13 o o o 
Zn5Tl3 crystallizes in the triclinic P1 space group. There are ten inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one Zn(10), two equivalent Zn(4), one Tl(3), and one Tl(5) atom. The Zn(1)-Zn(10) bond length is 2.46 Å. There is one shorter (2.28 Å) and one longer (2.65 Å) Zn(1)-Zn(4) bond length. The Zn(1)-Tl(3) bond length is 2.86 Å. The Zn(1)-Tl(5) bond length is 2.96 Å. In the second Zn site, Zn(2) is bonded in a 7-coordinate geometry to one Zn(5), one Zn(6), one Zn(7), two equivalent Zn(3), one Tl(3), and one Tl(6) atom. The Zn(2)-Zn(5) bond length is 2.77 Å. The Zn(2)-Zn(6) bond length is 2.07 Å. The Zn(2)-Zn(7) bond length is 2.65 Å. There is one shorter (2.28 Å) and one longer (2.65 Å) Zn(2)-Zn(3) bond length. The Zn(2)-Tl(3) bond length is 3.24 Å. The Zn(2)-Tl(6) bond length is 2.86 Å. In the third Zn site, Zn(3) is bonded in a 7-coordinate geometry to one Zn(5), one Zn(6), one Zn(7), two equivalent Zn(2), one Tl(3), and one Tl(6) atom. The Zn(3)-Zn(5) bond length is 2.59 Å. The Zn(3)-Zn(6) bond length is 2.07 Å. The Zn(3)-Zn(7) bond length is 2.46 Å. The Zn(3)-Tl(3) bond length is 3.09 Å. The Zn(3)-Tl(6) bond length is 2.86 Å. In the fourth Zn site, Zn(4) is bonded in a 5-coordinate geometry to one Zn(10), two equivalent Zn(1), one Tl(3), and one Tl(5) atom. The Zn(4)-Zn(10) bond length is 2.46 Å. The Zn(4)-Tl(3) bond length is 3.03 Å. The Zn(4)-Tl(5) bond length is 2.96 Å. In the fifth Zn site, Zn(5) is bonded in a 3-coordinate geometry to one Zn(2), one Zn(3), and one Tl(4) atom. The Zn(5)-Tl(4) bond length is 3.26 Å. In the sixth Zn site, Zn(6) is bonded in a 2-coordinate geometry to one Zn(2) and one Zn(3) atom. In the seventh Zn site, Zn(7) is bonded in a 2-coordinate geometry to one Zn(10), one Zn(2), and one Zn(3) atom. The Zn(7)-Zn(10) bond length is 3.09 Å. In the eighth Zn site, Zn(8) is bonded in a distorted single-bond geometry to one Tl(3) and one Tl(4) atom. The Zn(8)-Tl(3) bond length is 2.33 Å. The Zn(8)-Tl(4) bond length is 1.38 Å. In the ninth Zn site, Zn(9) is bonded in a 2-coordinate geometry to one Tl(5) and one Tl(6) atom. The Zn(9)-Tl(5) bond length is 1.38 Å. The Zn(9)-Tl(6) bond length is 1.37 Å. In the tenth Zn site, Zn(10) is bonded in a 4-coordinate geometry to one Zn(1), one Zn(4), one Zn(7), and one Tl(2) atom. The Zn(10)-Tl(2) bond length is 3.12 Å. There are six inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one Tl(4) and two equivalent Tl(2) atoms. The Tl(1)-Tl(4) bond length is 2.16 Å. There is one shorter (2.49 Å) and one longer (2.83 Å) Tl(1)-Tl(2) bond length. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one Zn(10) and two equivalent Tl(1) atoms. In the third Tl site, Tl(3) is bonded in a 1-coordinate geometry to one Zn(1), one Zn(2), one Zn(3), one Zn(4), and one Zn(8) atom. In the fourth Tl site, Tl(4) is bonded in a distorted single-bond geometry to one Zn(5), one Zn(8), and one Tl(1) atom. In the fifth Tl site, Tl(5) is bonded in a single-bond geometry to one Zn(1), one Zn(4), one Zn(9), and one Tl(6) atom. The Tl(5)-Tl(6) bond length is 0.14 Å. In the sixth Tl site, Tl(6) is bonded in a single-bond geometry to one Zn(2), one Zn(3), one Zn(9), and one Tl(5) atom.