data_[La2Ce2O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9231]
_cell_length_b [3.9231]
_cell_length_c [11.3432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [La2Ce2O7]
_chemical_formula_sum '[La2 Ce2 O7]'
_cell_volume [174.5829]
_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
[
  La  La0  2  0.0000  0.5000  0.1447  1.0
  Ce  Ce1  2  0.0000  0.5000  0.6196  1.0
  O  O2  2  0.0000  0.0000  0.2511  1.0
  O  O3  2  0.5000  0.5000  0.2682  1.0
  O  O4  1  0.0000  0.0000  0.5000  1.0
  O  O5  1  0.5000  0.5000  0.0000  1.0
  O  O6  1  0.5000  0.5000  0.5000  1.0
]