data_[Ce4C4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8511]
_cell_length_b [3.8758]
_cell_length_c [6.8340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeCO]
_chemical_formula_sum '[Ce4 C4 O4]'
_cell_volume [180.0490]
_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  4  0.1933  0.5000  0.2251  1.0
  C  C1  4  0.0567  0.0000  0.4313  1.0
  O  O2  4  0.1518  0.5000  0.8768  1.0
]