data_[Tl6Tc2Cl16]
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 [P6_3mc]
_cell_length_a [9.1605]
_cell_length_b [9.1605]
_cell_length_c [9.7744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Tl3TcCl8]
_chemical_formula_sum '[Tl6 Tc2 Cl16]'
_cell_volume [710.3253]
_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  6  0.1524  0.3048  0.6582  1
  Tc  Tc1  2  0.3333  0.6667  0.1632  1
  Cl  Cl2  6  0.0902  0.5451  0.0288  1
  Cl  Cl3  6  0.2110  0.4219  0.3013  1
  Cl  Cl4  2  0.0000  0.0000  0.4442  1
  Cl  Cl5  2  0.3333  0.6667  0.7008  1
]