data_[Ce8Cu4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1470]
_cell_length_b [5.4224]
_cell_length_c [7.8208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce2CuO5]
_chemical_formula_sum '[Ce8 Cu4 O20]'
_cell_volume [441.4638]
_cell_formula_units_Z [4]
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  8  0.1671  0.4728  0.3291  1
  Cu  Cu1  4  0.0000  0.0000  0.0000  1
  O  O2  8  0.1316  0.2340  0.0378  1
  O  O3  8  0.1392  0.2409  0.5902  1
  O  O4  4  0.0000  0.1354  0.2500  1
]