data_Tl5Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   8.27
_cell_angle_alpha   108.8
_cell_angle_beta   108.8
_cell_angle_gamma   29.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Tc
_chemical_formula_sum   'Tl5 Tc1'
_cell_volume   161.31
_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  0.04  0.0  0.08  1.0
  Tl  Tl2  1  0.65  0.0  0.99  1.0
  Tl  Tl3  1  0.19  0.0  0.18  1.0
  Tl  Tl4  1  0.1  0.0  0.21  1.0
  Tl  Tl5  1  0.83  0.0  0.42  1.0
  Tc  Tc0  1  0.44  0.0  0.03  1.0

data_Tl5Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   6.5
_cell_length_c   8.27
_cell_angle_alpha   108.8
_cell_angle_beta   90.0
_cell_angle_gamma   104.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Tc
_chemical_formula_sum   'Tl5 Tc1'
_cell_volume   161.31
_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  Tl0  1  0.0  0.17  0.58  1.0
  Tl  Tl1  1  0.0  0.35  0.01  1.0
  Tl  Tl2  1  0.0  0.81  0.82  1.0
  Tl  Tl3  1  0.0  0.9  0.79  1.0
  Tl  Tl4  1  0.0  0.96  0.92  1.0
  Tc  Tc5  1  0.0  0.56  0.97  1.0

Tl Tl Tl Tl Tl Tc