data_TlTc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   9.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTc3
_chemical_formula_sum   'Tl4 Tc12'
_cell_volume   262.2
_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  Tl12  1  0.0  0.0  0.6  1.0
  Tl  Tl13  1  0.0  0.0  0.0  1.0
  Tl  Tl14  1  0.87  0.66  0.9  1.0
  Tl  Tl15  1  0.0  0.31  0.3  1.0
  Tc  Tc0  1  0.57  0.48  0.6  1.0
  Tc  Tc1  1  0.57  0.48  0.0  1.0
  Tc  Tc2  1  0.43  0.48  0.6  1.0
  Tc  Tc3  1  0.87  0.0  0.6  1.0
  Tc  Tc4  1  0.87  0.0  0.0  1.0
  Tc  Tc5  1  0.43  0.48  0.0  1.0
  Tc  Tc6  1  0.32  0.07  0.9  1.0
  Tc  Tc7  1  0.55  0.89  0.3  1.0
  Tc  Tc8  1  0.68  0.07  0.9  1.0
  Tc  Tc9  1  0.0  0.79  0.9  1.0
  Tc  Tc10  1  0.87  0.18  0.3  1.0
  Tc  Tc11  1  0.19  0.89  0.3  1.0

data_TlTc3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   9.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTc3
_chemical_formula_sum   'Tl4 Tc12'
_cell_volume   262.2
_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  Tl0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.0  0.6  1.0
  Tl  Tl2  1  0.0  0.31  0.3  1.0
  Tl  Tl3  1  0.87  0.66  0.9  1.0
  Tc  Tc4  1  0.0  0.79  0.9  1.0
  Tc  Tc5  1  0.19  0.89  0.3  1.0
  Tc  Tc6  1  0.32  0.07  0.9  1.0
  Tc  Tc7  1  0.43  0.48  0.0  1.0
  Tc  Tc8  1  0.43  0.48  0.6  1.0
  Tc  Tc9  1  0.55  0.89  0.3  1.0
  Tc  Tc10  1  0.57  0.48  0.0  1.0
  Tc  Tc11  1  0.57  0.48  0.6  1.0
  Tc  Tc12  1  0.68  0.07  0.9  1.0
  Tc  Tc13  1  0.87  0.0  0.0  1.0
  Tc  Tc14  1  0.87  0.0  0.6  1.0
  Tc  Tc15  1  0.87  0.18  0.3  1.0

Tl Tl Tl Tl Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc
Tl Tl Tl Tl Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc 0 7 - o o 1 8 - o o 1 10 o o - 2 13 + o o 3 14 - o o 4 6 o o o 5 9 o o o 8 12 o o - 10 13 o - o 10 12 o o o 11 15 o o o 11 14 o + o 