data_[K4Li4Tl12]
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 [Cmcm]
_cell_length_a [7.8720]
_cell_length_b [13.6369]
_cell_length_c [5.6884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KLiTl3]
_chemical_formula_sum '[K4 Li4 Tl12]'
_cell_volume [610.6511]
_cell_formula_units_Z [4]
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  4  0.0000  0.3934  0.2500  1.0
  Li  Li1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.2181  0.1406  0.2500  1.0
  Tl  Tl3  4  0.0000  0.1925  0.7500  1.0
]