data_[Cs4K6Tl2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6261]
_cell_length_b [4.0165]
_cell_length_c [8.1067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6194]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2K3TlF6]
_chemical_formula_sum '[Cs4 K6 Tl2 F12]'
_cell_volume [557.7765]
_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
[
  Cs  Cs0  4  0.1664  0.0000  0.3298  1.0
  K  K1  4  0.1636  0.0000  0.8347  1.0
  K  K2  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  F  F4  4  0.0052  0.0000  0.7478  1.0
  F  F5  4  0.1582  0.5000  0.5999  1.0
  F  F6  4  0.1670  0.5000  0.0626  1.0
]