data_Tl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.42
_cell_length_b   9.42
_cell_length_c   9.42
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Tc
_chemical_formula_sum   'Tl16 Tc8'
_cell_volume   590.92
_cell_formula_units_Z   8
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  0.67  1.0  1.0  1.0
  Tl  Tl9  1  1.0  0.67  1.0  1.0
  Tl  Tl10  1  0.67  0.67  0.67  1.0
  Tl  Tl11  1  1.0  1.0  0.67  1.0
  Tl  Tl12  1  0.99  0.99  0.46  1.0
  Tl  Tl13  1  0.52  0.99  0.99  1.0
  Tl  Tl14  1  0.99  0.52  0.99  1.0
  Tl  Tl15  1  0.99  0.46  0.99  1.0
  Tl  Tl16  1  0.46  0.99  0.99  1.0
  Tl  Tl17  1  0.99  0.99  0.52  1.0
  Tl  Tl18  1  0.66  0.66  0.19  1.0
  Tl  Tl19  1  0.13  0.66  0.66  1.0
  Tl  Tl20  1  0.66  0.13  0.66  1.0
  Tl  Tl21  1  0.66  0.19  0.66  1.0
  Tl  Tl22  1  0.19  0.66  0.66  1.0
  Tl  Tl23  1  0.66  0.66  0.13  1.0
  Tc  Tc0  1  0.41  0.41  0.25  1.0
  Tc  Tc1  1  0.25  0.25  0.25  1.0
  Tc  Tc2  1  0.41  0.25  0.41  1.0
  Tc  Tc3  1  0.25  0.41  0.41  1.0
  Tc  Tc4  1  0.58  0.58  0.4  1.0
  Tc  Tc5  1  0.4  0.4  0.4  1.0
  Tc  Tc6  1  0.58  0.4  0.58  1.0
  Tc  Tc7  1  0.4  0.58  0.58  1.0

data_Tl2Tc
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.42
_cell_length_b   9.42
_cell_length_c   23.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Tl2Tc
_chemical_formula_sum   'Tl48 Tc24'
_cell_volume   1772.77
_cell_formula_units_Z   24
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  9  0.02  0.51  0.52  1.0
  Tl  Tl1  9  0.02  0.51  0.85  1.0
  Tl  Tl2  9  0.18  0.35  0.83  1.0
  Tl  Tl3  9  0.18  0.35  0.16  1.0
  Tl  Tl4  9  0.22  0.11  0.11  1.0
  Tl  Tl5  3  0.0  0.0  0.33  1.0
  Tc  Tc6  9  0.11  0.05  0.64  1.0
  Tc  Tc7  9  0.12  0.06  0.48  1.0
  Tc  Tc8  3  0.0  0.0  0.6  1.0
  Tc  Tc9  3  0.0  0.0  0.75  1.0

Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tc Tc Tc Tc Tc Tc Tc Tc
Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tc Tc Tc Tc Tc Tc Tc Tc 0 5 o o o 1 6 o o o 2 23 o o o 2 22 o o o 2 20 o o o 2 14 o o o 2 13 o o o 2 10 o o o 2 16 o o + 2 15 o o + 2 18 o + o 2 8 o o o 2 5 o o o 2 19 + o o 2 11 + o o 2 7 o o o 2 6 o o o 2 12 o + o 2 9 o o o 2 4 o o o 3 9 o o o 4 9 o o o 5 8 o o o 6 7 o o o 10 15 o o o 10 20 o o o 11 14 o o o 12 13 o o o 13 22 o o o 14 23 o o o 16 21 o o o 16 18 o o o 16 19 o o o 16 17 o o o 17 19 o o o 17 18 o o o 18 19 o o o 18 21 o o o 19 21 o o o 20 22 o o o 20 23 o o o 22 23 o o o 