data_[K2Li6Tl18]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1621]
_cell_length_b [15.7884]
_cell_length_c [7.9469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(LiTl3)3]
_chemical_formula_sum '[K2 Li6 Tl18]'
_cell_volume [722.5073]
_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
[
  K  K0  2  0.0000  0.0000  0.0000  1
  Li  Li1  4  0.2500  0.2500  0.0000  1
  Li  Li2  2  0.0000  0.5000  0.5000  1
  Tl  Tl3  8  0.0903  0.3870  0.2180  1
  Tl  Tl4  8  0.1620  0.8209  0.3384  1
  Tl  Tl5  2  0.0000  0.0000  0.5000  1
]