data_[K3Li6Tl3F18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.6427]
_cell_length_b [5.6427]
_cell_length_c [15.0015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KLi2TlF6]
_chemical_formula_sum '[K3 Li6 Tl3 F18]'
_cell_volume [413.6588]
_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  3  0.0000  0.0000  0.7886  1.0
  Li  Li1  3  0.0000  0.0000  0.0249  1.0
  Li  Li2  3  0.0000  0.0000  0.5210  1.0
  Tl  Tl3  3  0.0000  0.0000  0.3121  1.0
  F  F4  9  0.0133  0.3653  0.2560  1.0
  F  F5  9  0.1182  0.7736  0.0825  1.0
]