data_[Tl7Cl9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P6]
_cell_length_a [14.5237]
_cell_length_b [14.5237]
_cell_length_c [17.8350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [168]
_chemical_formula_structural [Tl7Cl9]
_chemical_formula_sum '[Tl7 Cl9]'
_cell_volume [3258.0362]
_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  6  0.1782  0.7400  0.4922  1
  Tl  Tl1  1  0.0000  0.0000  0.5036  1
  Cl  Cl2  6  0.0437  0.3541  0.4855  1
  Cl  Cl3  2  0.3333  0.6667  0.4930  1
  Cl  Cl4  1  0.0000  0.0000  0.6444  1
]