data_[Ce12H4C6O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7161]
_cell_length_b [3.5970]
_cell_length_c [7.2675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6H2C3O]
_chemical_formula_sum '[Ce12 H4 C6 O2]'
_cell_volume [399.1687]
_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  0.0001  0.0000  0.2485  1.0
  Ce  Ce1  4  0.1623  0.5000  0.5948  1.0
  Ce  Ce2  4  0.1668  0.5000  0.0770  1.0
  H  H3  4  0.1688  0.0000  0.3385  1.0
  C  C4  4  0.1632  0.0000  0.8363  1.0
  C  C5  2  0.0000  0.5000  0.5000  1.0
  O  O6  2  0.0000  0.5000  0.0000  1.0
]