data_[Li2Ce4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [5.1715]
_cell_length_b [6.6723]
_cell_length_c [8.7177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiCe2F6]
_chemical_formula_sum '[Li2 Ce4 F12]'
_cell_volume [253.5673]
_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
[
  Li  Li0  2  0.5000  0.0000  0.5000  1.0
  Ce  Ce1  4  0.2265  0.1078  0.7699  1.0
  F  F2  4  0.1348  0.1436  0.4540  1.0
  F  F3  4  0.2836  0.7185  0.4316  1.0
  F  F4  4  0.3629  0.0459  0.2451  1.0
]