data_[Ce8H8N2]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.4349]
_cell_length_b [5.4349]
_cell_length_c [10.8397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Ce4H4N]
_chemical_formula_sum '[Ce8 H8 N2]'
_cell_volume [320.1897]
_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  8  0.2405  0.2405  0.1214  1
  H  H1  4  0.0000  0.0000  0.2522  1
  H  H2  4  0.0000  0.5000  0.0000  1
  N  N3  2  0.0000  0.0000  0.0000  1
]