data_[Tl6Tc2Cl14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Tc  1.9000  1.3500  0.7417
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.6003]
_cell_length_b [9.7168]
_cell_length_c [7.9958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl3TcCl7]
_chemical_formula_sum '[Tl6 Tc2 Cl14]'
_cell_volume [725.8922]
_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  Tl0  4  0.0004  0.2269  0.4813  1
  Tl  Tl1  2  0.4948  0.0000  0.9712  1
  Tc  Tc2  2  0.4889  0.5000  0.9629  1
  Cl  Cl3  4  0.1307  0.1764  0.1735  1
  Cl  Cl4  4  0.3465  0.3265  0.7431  1
  Cl  Cl5  2  0.1428  0.0000  0.8193  1
  Cl  Cl6  2  0.3384  0.5000  0.1074  1
  Cl  Cl7  2  0.4549  0.0000  0.5935  1
]