data_Tl5Bi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.77
_cell_length_b   9.77
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Bi4
_chemical_formula_sum   'Tl10 Bi8'
_cell_volume   574.33
_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  0.13  0.42  0.21  1.0
  Tl  Tl9  1  0.51  0.0  0.21  1.0
  Tl  Tl10  1  0.25  0.04  0.21  1.0
  Tl  Tl11  1  0.75  0.04  0.74  1.0
  Tl  Tl12  1  0.26  0.0  0.74  1.0
  Tl  Tl13  1  0.87  0.42  0.74  1.0
  Tl  Tl14  1  0.0  0.64  0.47  1.0
  Tl  Tl15  1  0.88  0.82  0.0  1.0
  Tl  Tl16  1  0.88  0.82  0.47  1.0
  Tl  Tl17  1  0.0  0.64  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.47  1.0
  Bi  Bi1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.47  0.55  0.21  1.0
  Bi  Bi3  1  0.83  0.0  0.21  1.0
  Bi  Bi4  1  0.59  0.91  0.21  1.0
  Bi  Bi5  1  0.41  0.91  0.74  1.0
  Bi  Bi6  1  0.94  0.0  0.74  1.0
  Bi  Bi7  1  0.53  0.55  0.74  1.0

data_Tl5Bi4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.95
_cell_length_b   9.77
_cell_length_c   9.77
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Bi4
_chemical_formula_sum   'Tl10 Bi8'
_cell_volume   574.33
_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  0.64  1.0
  Tl  Tl1  1  0.0  0.88  0.82  1.0
  Tl  Tl2  1  0.21  0.13  0.42  1.0
  Tl  Tl3  1  0.21  0.25  0.04  1.0
  Tl  Tl4  1  0.21  0.51  0.0  1.0
  Tl  Tl5  1  0.47  0.0  0.64  1.0
  Tl  Tl6  1  0.47  0.88  0.82  1.0
  Tl  Tl7  1  0.74  0.26  0.0  1.0
  Tl  Tl8  1  0.74  0.75  0.04  1.0
  Tl  Tl9  1  0.74  0.87  0.42  1.0
  Bi  Bi10  1  0.0  0.0  0.0  1.0
  Bi  Bi11  1  0.21  0.47  0.55  1.0
  Bi  Bi12  1  0.21  0.59  0.91  1.0
  Bi  Bi13  1  0.21  0.83  0.0  1.0
  Bi  Bi14  1  0.47  0.0  0.0  1.0
  Bi  Bi15  1  0.74  0.41  0.91  1.0
  Bi  Bi16  1  0.74  0.53  0.55  1.0
  Bi  Bi17  1  0.74  0.94  0.0  1.0

Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Bi Bi Bi Bi Bi Bi Bi Bi
Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Bi Bi Bi Bi Bi Bi Bi Bi 0 13 - o o 0 9 o o o 0 6 o o o 0 12 o o o 1 14 o - o 1 2 o o o 2 11 o o o 2 10 o o o 3 16 o o o 3 17 o - o 4 15 o - o 5 6 + o o 5 9 + o + 5 17 o o o 6 8 - o o 7 11 + + o 7 9 + o o 7 13 o + o 7 17 o o - 8 10 + + o 8 17 o o o 10 13 - o o 10 16 - o o 11 13 - o o 11 16 - o - 12 14 o o o 12 17 o o - 12 17 o o o 13 14 o - o 15 17 o o o 16 17 o - o 
Tl5Bi4 crystallizes in the triclinic P1 space group. There are ten inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to one Tl(10) and one Bi(3) atom. The Tl(1)-Tl(10) bond length is 3.32 Å. The Tl(1)-Bi(3) bond length is 2.91 Å. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Bi(5) and one Bi(6) atom. The Tl(2)-Bi(5) bond length is 1.43 Å. The Tl(2)-Bi(6) bond length is 3.42 Å. In the third Tl site, Tl(3) is bonded in a 2-coordinate geometry to one Bi(1) and one Bi(2) atom. The Tl(3)-Bi(1) bond length is 2.90 Å. The Tl(3)-Bi(2) bond length is 2.70 Å. In the fourth Tl site, Tl(4) is bonded in a distorted bent 150 degrees geometry to one Tl(6), one Bi(6), and one Bi(7) atom. The Tl(4)-Tl(6) bond length is 3.37 Å. The Tl(4)-Bi(6) bond length is 2.91 Å. The Tl(4)-Bi(7) bond length is 2.05 Å. In the fifth Tl site, Tl(5) is bonded in a single-bond geometry to one Bi(6) atom. The Tl(5)-Bi(6) bond length is 2.04 Å. In the sixth Tl site, Tl(6) is bonded in a 3-coordinate geometry to one Tl(10), one Tl(4), and one Tl(7) atom. The Tl(6)-Tl(10) bond length is 2.59 Å. The Tl(6)-Tl(7) bond length is 2.59 Å. In the seventh Tl site, Tl(7) is bonded in a 2-coordinate geometry to one Tl(10), one Tl(6), and one Tl(9) atom. The Tl(7)-Tl(10) bond length is 3.30 Å. The Tl(7)-Tl(9) bond length is 2.52 Å. In the eighth Tl site, Tl(8) is bonded in a single-bond geometry to one Tl(10), one Bi(2), one Bi(4), and one Bi(8) atom. The Tl(8)-Tl(10) bond length is 2.52 Å. The Tl(8)-Bi(2) bond length is 1.54 Å. The Tl(8)-Bi(4) bond length is 2.57 Å. The Tl(8)-Bi(8) bond length is 3.63 Å. In the ninth Tl site, Tl(9) is bonded in a single-bond geometry to one Tl(7), one Bi(1), one Bi(4), and one Bi(8) atom. The Tl(9)-Bi(1) bond length is 1.54 Å. The Tl(9)-Bi(4) bond length is 2.78 Å. The Tl(9)-Bi(8) bond length is 3.63 Å. In the tenth Tl site, Tl(10) is bonded in a 4-coordinate geometry to one Tl(1), one Tl(6), one Tl(7), and one Tl(8) atom. There are eight inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one Tl(3), one Tl(9), and one Bi(4) atom. The Bi(1)-Bi(4) bond length is 2.49 Å. In the second Bi site, Bi(2) is bonded in a distorted single-bond geometry to one Tl(3), one Tl(8), and one Bi(4) atom. The Bi(2)-Bi(4) bond length is 2.25 Å. In the third Bi site, Bi(3) is bonded in a distorted single-bond geometry to one Tl(1) and two equivalent Bi(8) atoms. There is one shorter (3.35 Å) and one longer (3.69 Å) Bi(3)-Bi(8) bond length. In the fourth Bi site, Bi(4) is bonded in a 5-coordinate geometry to one Tl(8), one Tl(9), one Bi(1), one Bi(2), and one Bi(5) atom. The Bi(4)-Bi(5) bond length is 2.05 Å. In the fifth Bi site, Bi(5) is bonded in a distorted single-bond geometry to one Tl(2) and one Bi(4) atom. In the sixth Bi site, Bi(6) is bonded in a 3-coordinate geometry to one Tl(2), one Tl(4), and one Tl(5) atom. In the seventh Bi site, Bi(7) is bonded in a distorted single-bond geometry to one Tl(4) atom. In the eighth Bi site, Bi(8) is bonded in a 4-coordinate geometry to one Tl(8), one Tl(9), and two equivalent Bi(3) atoms.