data_Tl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Tc
_chemical_formula_sum   'Tl2 Tc1'
_cell_volume   67.96
_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  Tl1  1  0.56  0.48  0.5  1.0
  Tl  Tl2  1  0.0  0.95  0.5  1.0
  Tc  Tc0  1  0.0  0.0  0.0  1.0

data_Tl2Tc
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.11
_cell_length_b   3.0
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Tl2Tc
_chemical_formula_sum   'Tl2 Tc1'
_cell_volume   67.96
_cell_formula_units_Z   1
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  1  -0.0  0.5  0.95  1.0
  Tl  Tl1  1  0.56  0.5  0.48  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0

Tl Tl Tc
Tl Tl Tc 0 2 o o o 0 2 o o + 0 2 + + o 0 2 + + + 0 1 o - o 0 1 + o o 0 0 o o + 1 2 o + o 1 2 o + + 