data_Tl5Tc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25
_cell_length_b   8.25
_cell_length_c   8.25
_cell_angle_alpha   96.39
_cell_angle_beta   96.39
_cell_angle_gamma   141.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Tc3
_chemical_formula_sum   'Tl10 Tc6'
_cell_volume   333.32
_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  Tl6  1  0.5  0.0  0.38  1.0
  Tl  Tl7  1  0.0  0.5  0.38  1.0
  Tl  Tl8  1  0.84  0.57  0.0  1.0
  Tl  Tl9  1  0.66  0.93  0.75  1.0
  Tl  Tl10  1  0.84  0.43  0.75  1.0
  Tl  Tl11  1  0.66  0.07  0.0  1.0
  Tl  Tl12  1  0.07  0.34  0.0  1.0
  Tl  Tl13  1  0.43  0.16  0.75  1.0
  Tl  Tl14  1  0.43  0.84  0.0  1.0
  Tl  Tl15  1  0.07  0.66  0.75  1.0
  Tc  Tc0  1  0.0  0.0  0.13  1.0
  Tc  Tc1  1  0.0  0.0  0.38  1.0
  Tc  Tc2  1  0.88  0.62  0.0  1.0
  Tc  Tc3  1  0.62  0.88  0.75  1.0
  Tc  Tc4  1  0.39  0.88  0.0  1.0
  Tc  Tc5  1  0.12  0.62  0.75  1.0

data_Tl5Tc3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.51
_cell_length_b   8.25
_cell_length_c   8.25
_cell_angle_alpha   83.61
_cell_angle_beta   70.52
_cell_angle_gamma   70.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Tc3
_chemical_formula_sum   'Tl10 Tc6'
_cell_volume   333.32
_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  0.07  0.0  0.59  1.0
  Tl  Tl1  1  0.13  0.38  0.5  1.0
  Tl  Tl2  1  0.18  0.75  0.73  1.0
  Tl  Tl3  1  0.34  0.0  0.73  1.0
  Tl  Tl4  1  0.41  0.75  0.27  1.0
  Tl  Tl5  1  0.57  0.0  0.27  1.0
  Tl  Tl6  1  0.62  0.38  0.5  1.0
  Tl  Tl7  1  0.68  0.75  0.41  1.0
  Tl  Tl8  1  0.84  0.0  0.59  1.0
  Tl  Tl9  1  0.91  0.75  0.41  1.0
  Tc  Tc10  1  0.13  0.75  0.73  1.0
  Tc  Tc11  1  0.62  0.0  0.27  1.0
  Tc  Tc12  1  0.62  0.38  0.0  1.0
  Tc  Tc13  1  0.87  0.75  0.5  1.0
  Tc  Tc14  1  0.87  0.13  0.0  1.0
  Tc  Tc15  1  0.88  0.0  0.5  1.0

Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tc Tc Tc Tc Tc Tc
Tc3Tl5 crystallizes in the triclinic P1 space group. There are six inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 3-coordinate geometry to one Tc(2), one Tc(3), and one Tl(7) atom. The Tc(1)-Tc(2) bond length is 2.04 Å. The Tc(1)-Tc(3) bond length is 2.51 Å. The Tc(1)-Tl(7) bond length is 2.77 Å. In the second Tc site, Tc(2) is bonded in a distorted single-bond geometry to one Tc(1) and one Tl(8) atom. The Tc(2)-Tl(8) bond length is 3.66 Å. In the third Tc site, Tc(3) is bonded in a single-bond geometry to one Tc(1), one Tl(3), and one Tl(5) atom. The Tc(3)-Tl(3) bond length is 0.25 Å. The Tc(3)-Tl(5) bond length is 2.22 Å. In the fourth Tc site, Tc(4) is bonded in a single-bond geometry to one Tl(4) and one Tl(6) atom. The Tc(4)-Tl(4) bond length is 0.25 Å. The Tc(4)-Tl(6) bond length is 2.22 Å. In the fifth Tc site, Tc(5) is bonded in a single-bond geometry to one Tl(1), one Tl(6), one Tl(8), and one Tl(9) atom. The Tc(5)-Tl(1) bond length is 2.96 Å. The Tc(5)-Tl(6) bond length is 1.45 Å. The Tc(5)-Tl(8) bond length is 3.06 Å. The Tc(5)-Tl(9) bond length is 0.69 Å. In the sixth Tc site, Tc(6) is bonded in a single-bond geometry to one Tl(10), one Tl(2), and one Tl(5) atom. The Tc(6)-Tl(10) bond length is 0.69 Å. The Tc(6)-Tl(2) bond length is 2.96 Å. The Tc(6)-Tl(5) bond length is 1.45 Å. There are ten inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one Tc(5) and two equivalent Tl(2) atoms. Both Tl(1)-Tl(2) bond lengths are 2.75 Å. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one Tc(6) and two equivalent Tl(1) atoms. In the third Tl site, Tl(3) is bonded in a single-bond geometry to one Tc(3) and one Tl(8) atom. The Tl(3)-Tl(8) bond length is 2.49 Å. In the fourth Tl site, Tl(4) is bonded in a single-bond geometry to one Tc(4) atom. In the fifth Tl site, Tl(5) is bonded in a 4-coordinate geometry to one Tc(3), one Tc(6), one Tl(10), and one Tl(8) atom. The Tl(5)-Tl(10) bond length is 1.27 Å. The Tl(5)-Tl(8) bond length is 2.16 Å. In the sixth Tl site, Tl(6) is bonded in a 4-coordinate geometry to one Tc(4), one Tc(5), one Tl(7), and one Tl(9) atom. The Tl(6)-Tl(7) bond length is 2.16 Å. The Tl(6)-Tl(9) bond length is 1.27 Å. In the seventh Tl site, Tl(7) is bonded in a 2-coordinate geometry to one Tc(1) and one Tl(6) atom. In the eighth Tl site, Tl(8) is bonded in a 5-coordinate geometry to one Tc(2), one Tc(5), one Tl(10), one Tl(3), and one Tl(5) atom. The Tl(8)-Tl(10) bond length is 2.60 Å. In the ninth Tl site, Tl(9) is bonded in a single-bond geometry to one Tc(5) and one Tl(6) atom. In the tenth Tl site, Tl(10) is bonded in a single-bond geometry to one Tc(6), one Tl(5), and one Tl(8) atom.