data_[Ce8Zr2O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8153]
_cell_length_b [3.8153]
_cell_length_c [27.0944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ce4ZrO10]
_chemical_formula_sum '[Ce8 Zr2 O20]'
_cell_volume [394.3989]
_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
[
  Ce  Ce0  4  0.0000  0.0000  0.1991  1.0
  Ce  Ce1  4  0.0000  0.0000  0.4027  1.0
  Zr  Zr2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0000  0.5000  0.0463  1.0
  O  O4  8  0.0000  0.5000  0.1481  1.0
  O  O5  4  0.0000  0.5000  0.2500  1.0
]