data_[Ce12H4C2N6]
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 [15.6172]
_cell_length_b [3.5659]
_cell_length_c [7.2980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6H2CN3]
_chemical_formula_sum '[Ce12 H4 C2 N6]'
_cell_volume [392.9577]
_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  0.0016  0.0000  0.2513  1.0
  Ce  Ce1  4  0.1609  0.5000  0.5989  1.0
  Ce  Ce2  4  0.1673  0.5000  0.0721  1.0
  H  H3  4  0.1715  0.0000  0.3419  1.0
  C  C4  2  0.0000  0.5000  0.0000  1.0
  N  N5  4  0.1615  0.0000  0.8322  1.0
  N  N6  2  0.0000  0.5000  0.5000  1.0
]