data_[Ce12C2N4O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5148]
_cell_length_b [3.5747]
_cell_length_c [7.1059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0099]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6CN2O3]
_chemical_formula_sum '[Ce12 C2 N4 O6]'
_cell_volume [383.9802]
_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  0.0011  0.0000  0.2514  1.0
  Ce  Ce1  4  0.1671  0.5000  0.0860  1.0
  Ce  Ce2  4  0.1677  0.5000  0.5813  1.0
  C  C3  2  0.0000  0.5000  0.0000  1.0
  N  N4  4  0.1681  0.0000  0.3356  1.0
  O  O5  4  0.1653  0.0000  0.8321  1.0
  O  O6  2  0.0000  0.5000  0.5000  1.0
]