data_Tl3Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   9.18
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Tc
_chemical_formula_sum   'Tl12 Tc4'
_cell_volume   380.56
_cell_formula_units_Z   4
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  Tl4  1  0.2  0.88  0.89  1.0
  Tl  Tl5  1  0.34  0.29  0.82  1.0
  Tl  Tl6  1  0.74  0.88  0.04  1.0
  Tl  Tl7  1  0.88  0.29  0.97  1.0
  Tl  Tl8  1  0.28  0.74  0.64  1.0
  Tl  Tl9  1  0.26  0.44  0.71  1.0
  Tl  Tl10  1  0.82  0.03  0.15  1.0
  Tl  Tl11  1  0.8  0.15  0.22  1.0
  Tl  Tl12  1  0.8  0.44  0.22  1.0
  Tl  Tl13  1  0.82  0.74  0.15  1.0
  Tl  Tl14  1  0.26  0.15  0.71  1.0
  Tl  Tl15  1  0.28  0.03  0.64  1.0
  Tc  Tc0  1  0.05  0.88  0.51  1.0
  Tc  Tc1  1  0.56  0.29  0.58  1.0
  Tc  Tc2  1  0.51  0.88  0.28  1.0
  Tc  Tc3  1  0.02  0.29  0.35  1.0

data_Tl3Tc
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.86
_cell_length_b   7.07
_cell_length_c   9.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Tl3Tc
_chemical_formula_sum   'Tl12 Tc4'
_cell_volume   380.56
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.21  0.24  0.65  1.0
  Tl  Tl1  2  0.21  0.24  0.94  1.0
  Tl  Tl2  2  0.28  0.22  0.35  1.0
  Tl  Tl3  2  0.28  0.22  0.06  1.0
  Tl  Tl4  2  0.39  0.3  0.21  1.0
  Tl  Tl5  2  0.46  0.16  0.79  1.0
  Tc  Tc6  2  0.08  0.01  0.79  1.0
  Tc  Tc7  2  0.15  0.52  0.21  1.0

Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tc Tc Tc Tc
TcTl3 crystallizes in the triclinic P-1 space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 5-coordinate geometry to one Tl(1), one Tl(3), one Tl(4), one Tl(5), and one Tl(6) atom. The Tc(1)-Tl(1) bond length is 2.46 Å. The Tc(1)-Tl(3) bond length is 2.23 Å. The Tc(1)-Tl(4) bond length is 2.99 Å. The Tc(1)-Tl(5) bond length is 2.99 Å. The Tc(1)-Tl(6) bond length is 2.23 Å. In the second Tc site, Tc(2) is bonded in a 1-coordinate geometry to one Tl(1), one Tl(2), one Tl(3), one Tl(4), and one Tl(6) atom. The Tc(2)-Tl(1) bond length is 3.23 Å. The Tc(2)-Tl(2) bond length is 2.11 Å. The Tc(2)-Tl(3) bond length is 2.99 Å. The Tc(2)-Tl(4) bond length is 2.63 Å. The Tc(2)-Tl(6) bond length is 2.99 Å. There are six inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 4-coordinate geometry to one Tc(1), one Tc(2), one Tl(3), and one Tl(6) atom. The Tl(1)-Tl(3) bond length is 2.03 Å. The Tl(1)-Tl(6) bond length is 2.03 Å. In the second Tl site, Tl(2) is bonded in a distorted T-shaped geometry to one Tc(2), one Tl(4), and one Tl(5) atom. The Tl(2)-Tl(4) bond length is 1.57 Å. The Tl(2)-Tl(5) bond length is 1.57 Å. In the third Tl site, Tl(3) is bonded in a 5-coordinate geometry to one Tc(1), one Tc(2), one Tl(1), one Tl(4), and one Tl(6) atom. The Tl(3)-Tl(4) bond length is 2.79 Å. The Tl(3)-Tl(6) bond length is 2.65 Å. In the fourth Tl site, Tl(4) is bonded in a 4-coordinate geometry to one Tc(1), one Tc(2), one Tl(2), and one Tl(3) atom. In the fifth Tl site, Tl(5) is bonded in a 2-coordinate geometry to one Tc(1), one Tl(2), and one Tl(6) atom. The Tl(5)-Tl(6) bond length is 1.20 Å. In the sixth Tl site, Tl(6) is bonded in a 4-coordinate geometry to one Tc(1), one Tc(2), one Tl(1), one Tl(3), and one Tl(5) atom.