data_[Cs2K4Tl6F12]
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 [17.7582]
_cell_length_b [3.9783]
_cell_length_c [8.1071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsK2Tl3F6]
_chemical_formula_sum '[Cs2 K4 Tl6 F12]'
_cell_volume [558.1903]
_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  2  0.0000  0.5000  0.0000  1.0
  K  K1  4  0.1689  0.0000  0.3454  1.0
  Tl  Tl2  4  0.1737  0.0000  0.8241  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  F  F4  4  0.0165  0.0000  0.2745  1.0
  F  F5  4  0.1751  0.5000  0.5918  1.0
  F  F6  4  0.1808  0.5000  0.1216  1.0
]