data_[Na2Ca1Ce1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9059]
_cell_length_b [5.6034]
_cell_length_c [7.8384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Na2CaCeF8]
_chemical_formula_sum '[Na2 Ca1 Ce1 F8]'
_cell_volume [171.5545]
_cell_formula_units_Z [1]
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
[
  Na  Na0  2  0.5000  0.5000  0.2251  1.0
  Ca  Ca1  1  0.0000  0.0000  0.0000  1.0
  Ce  Ce2  1  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.0000  0.2335  0.2697  1.0
  F  F4  2  0.5000  0.2289  0.5000  1.0
  F  F5  2  0.5000  0.2366  0.0000  1.0
]