data_Tl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   4.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   150.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Tc
_chemical_formula_sum   'Tl4 Tc2'
_cell_volume   127.32
_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  Tl2  1  0.97  0.04  0.08  1.0
  Tl  Tl3  1  0.97  0.96  0.25  1.0
  Tl  Tl4  1  0.97  0.32  0.08  1.0
  Tl  Tl5  1  0.97  0.68  0.25  1.0
  Tc  Tc0  1  0.97  0.01  0.08  1.0
  Tc  Tc1  1  0.97  0.99  0.25  1.0

data_Tl2Tc
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.93
_cell_length_b   4.34
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   104.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Tl2Tc
_chemical_formula_sum   'Tl4 Tc2'
_cell_volume   127.32
_cell_formula_units_Z   2
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  0.04  0.58  0.04  1.0
  Tl  Tl1  2  0.32  0.58  0.32  1.0
  Tc  Tc2  2  0.01  0.58  0.01  1.0

Tl Tl Tl Tl Tc Tc
Tl Tl Tl Tl Tc Tc 0 4 o o o 0 2 o o o 1 5 o o o 1 3 o o o 2 4 o o o 2 5 o - o 3 4 o + o 3 5 o o o 