data_[K2Na4Tl6I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  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 [21.4649]
_cell_length_b [4.8998]
_cell_length_c [9.9158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9343]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KNa2(TlI2)3]
_chemical_formula_sum '[K2 Na4 Tl6 I12]'
_cell_volume [1012.1801]
_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  0.5000  0.0000  1.0
  Na  Na1  4  0.1701  0.0000  0.3363  1.0
  Tl  Tl2  4  0.1649  0.0000  0.8286  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  I  I4  4  0.0115  0.0000  0.2554  1.0
  I  I5  4  0.1699  0.5000  0.1018  1.0
  I  I6  4  0.1725  0.5000  0.5704  1.0
]