data_[K6Li2Tl4I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6172]
_cell_length_b [14.9292]
_cell_length_c [8.5236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Li(TlI3)2]
_chemical_formula_sum '[K6 Li2 Tl4 I12]'
_cell_volume [1031.4408]
_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  0.0000  0.1738  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Li  Li2  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  4  0.0000  0.3358  0.0000  1.0
  I  I4  8  0.2315  0.1537  0.2343  1.0
  I  I5  4  0.2232  0.0000  0.7684  1.0
]