data_[K2Na4Tl9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.5076]
_cell_length_b [5.5076]
_cell_length_c [18.8197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K2Na4Tl9]
_chemical_formula_sum '[K2 Na4 Tl9]'
_cell_volume [494.3951]
_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
[
  K  K0  2  0.3333  0.6667  0.7636  1
  Na  Na1  2  0.3333  0.6667  0.3854  1
  Na  Na2  2  0.3333  0.6667  0.1355  1
  Tl  Tl3  2  0.0000  0.0000  0.0889  1
  Tl  Tl4  2  0.0000  0.0000  0.3284  1
  Tl  Tl5  2  0.3333  0.6667  0.5657  1
  Tl  Tl6  2  0.3333  0.6667  0.9634  1
  Tl  Tl7  1  0.0000  0.0000  0.5000  1
]