data_[Cs4Ce2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7407]
_cell_length_b [8.5541]
_cell_length_c [8.5900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2CeF6]
_chemical_formula_sum '[Cs4 Ce2 F12]'
_cell_volume [441.0948]
_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  0.1746  0.0542  0.8230  1.0
  Ce  Ce1  2  0.5000  0.0000  0.5000  1.0
  F  F2  4  0.2010  0.1209  0.4769  1.0
  F  F3  4  0.3126  0.7162  0.9412  1.0
  F  F4  4  0.3815  0.0338  0.2218  1.0
]