data_[K2Ce2Tl4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  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 [11.6099]
_cell_length_b [6.7387]
_cell_length_c [6.8227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCeTl2F6]
_chemical_formula_sum '[K2 Ce2 Tl4 F12]'
_cell_volume [435.7696]
_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  0.0000  0.5000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl2  4  0.2486  0.0000  0.2231  1.0
  F  F3  8  0.0709  0.2627  0.8464  1.0
  F  F4  4  0.2256  0.5000  0.3407  1.0
]