data_[K4Li2Tl4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9746]
_cell_length_b [4.6339]
_cell_length_c [7.6854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Li(TlSe2)2]
_chemical_formula_sum '[K4 Li2 Tl4 Se8]'
_cell_volume [550.0831]
_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  4  0.1204  0.0000  0.5551  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.1502  0.5000  0.0371  1.0
  Se  Se3  4  0.0106  0.5000  0.7581  1.0
  Se  Se4  4  0.2168  0.0000  0.2104  1.0
]