data_[Ce12H6C2N4]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7514]
_cell_length_b [3.5160]
_cell_length_c [7.2683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6H3CN2]
_chemical_formula_sum '[Ce12 H6 C2 N4]'
_cell_volume [386.7101]
_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  0.0036  0.0000  0.2447  1
  Ce  Ce1  4  0.1644  0.5000  0.0935  1
  Ce  Ce2  4  0.1701  0.5000  0.5743  1
  H  H3  4  0.1649  0.0000  0.8315  1
  H  H4  2  0.0000  0.5000  0.5000  1
  C  C5  2  0.0000  0.5000  0.0000  1
  N  N6  4  0.1679  0.0000  0.3354  1
]