data_[Ba8Ce2F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.8151]
_cell_length_b [9.8151]
_cell_length_c [6.2009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ba4CeF10]
_chemical_formula_sum '[Ba8 Ce2 F20]'
_cell_volume [597.3694]
_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
[
  Ba  Ba0  8  0.1028  0.3004  0.5000  1
  Ce  Ce1  2  0.0000  0.0000  0.0000  1
  F  F2  16  0.0925  0.8131  0.2380  1
  F  F3  4  0.0000  0.5000  0.2500  1
]