data_[Cs6Ce2F12]
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 [C2/m]
_cell_length_a [12.2642]
_cell_length_b [7.1361]
_cell_length_c [7.2368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3CeF6]
_chemical_formula_sum '[Cs6 Ce2 F12]'
_cell_volume [524.8119]
_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  0.2460  0.0000  0.7265  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0000  1.0
  Ce  Ce2  2  0.0000  0.5000  0.5000  1.0
  F  F3  8  0.0674  0.2737  0.3545  1.0
  F  F4  4  0.2100  0.5000  0.8239  1.0
]