data_TlTc5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTc5
_chemical_formula_sum   'Tl1 Tc5'
_cell_volume   97.56
_cell_formula_units_Z   1
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  Tl5  1  0.48  0.48  0.48  1.0
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.75  0.75  0.75  1.0
  Tc  Tc2  1  0.56  0.75  0.56  1.0
  Tc  Tc3  1  0.56  0.56  0.75  1.0
  Tc  Tc4  1  0.75  0.56  0.56  1.0

data_TlTc5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlTc5
_chemical_formula_sum   'Tl3 Tc15'
_cell_volume   292.68
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.52  1.0
  Tc  Tc1  9  0.06  0.12  0.38  1.0
  Tc  Tc2  3  0.0  0.0  0.0  1.0
  Tc  Tc3  3  0.0  0.0  0.25  1.0

Tl Tc Tc Tc Tc Tc
Tl Tc Tc Tc Tc Tc 0 5 o o o 0 4 o o o 0 3 o o o 1 2 - - - 1 2 - - o 1 2 - o - 1 2 o - - 1 5 - - o 1 5 - o - 1 3 - - o 1 3 o - - 1 4 - o - 1 4 o - - 2 5 o o o 2 4 o o o 2 3 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
Tc5Tl crystallizes in the trigonal R3m space group. There are three inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 13-coordinate geometry to four equivalent Tc(2), six equivalent Tc(3), and three equivalent Tl(1) atoms. There are three shorter (3.15 Å) and one longer (3.22 Å) Tc(1)-Tc(2) bond length. All Tc(1)-Tc(3) bond lengths are 2.81 Å. All Tc(1)-Tl(1) bond lengths are 3.52 Å. In the second Tc site, Tc(2) is bonded in a 6-coordinate geometry to three equivalent Tc(3), four equivalent Tc(1), and three equivalent Tl(1) atoms. All Tc(2)-Tc(3) bond lengths are 1.64 Å. All Tc(2)-Tl(1) bond lengths are 3.11 Å. In the third Tc site, Tc(3) is bonded in a 2-coordinate geometry to one Tc(2), two equivalent Tc(1), two equivalent Tc(3), and one Tl(1) atom. Both Tc(3)-Tc(3) bond lengths are 0.95 Å. The Tc(3)-Tl(1) bond length is 1.89 Å. Tl(1) is bonded in a 6-coordinate geometry to three equivalent Tc(1), three equivalent Tc(2), and three equivalent Tc(3) atoms.