data_[Ce2Hf2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Hf  1.3000  1.5500  0.8500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.2780]
_cell_length_b [5.4984]
_cell_length_c [5.4203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [CeHfO4]
_chemical_formula_sum '[Ce2 Hf2 O8]'
_cell_volume [156.4460]
_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  2  0.5000  0.2698  0.2500  1.0
  Hf  Hf1  2  0.0000  0.1950  0.7500  1.0
  O  O2  4  0.2371  0.0485  0.5057  1.0
  O  O3  4  0.2558  0.4357  0.9182  1.0
]