data_[K9Tl6Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7172]
_cell_length_b [7.7172]
_cell_length_c [26.5800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3(TlCl4)2]
_chemical_formula_sum '[K9 Tl6 Cl24]'
_cell_volume [1370.8865]
_cell_formula_units_Z [3]
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
[
  K  K0  6  0.0000  0.0000  0.1986  1
  K  K1  3  0.0000  0.0000  0.0000  1
  Tl  Tl2  6  0.0000  0.0000  0.4081  1
  Cl  Cl3  18  0.0365  0.5182  0.7686  1
  Cl  Cl4  6  0.0000  0.0000  0.3119  1
]