data_[Cs2Ce2Tl4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/c]
_cell_length_a [6.7551]
_cell_length_b [7.3043]
_cell_length_c [11.7341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6720]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsCeTl2F6]
_chemical_formula_sum '[Cs2 Ce2 Tl4 F12]'
_cell_volume [481.8383]
_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  0.5000  0.0000  0.0000  1.0
  Ce  Ce1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2740  0.5320  0.7661  1.0
  F  F3  4  0.0753  0.5912  0.2108  1.0
  F  F4  4  0.2406  0.2449  0.0994  1.0
  F  F5  4  0.3356  0.6458  0.0367  1.0
]