data_[Ce16H2C10]
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
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.7423]
_cell_length_b [7.7423]
_cell_length_c [7.9669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ce8HC5]
_chemical_formula_sum '[Ce16 H2 C10]'
_cell_volume [477.5679]
_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  0.0693  0.6944  0.4282  1
  Ce  Ce1  8  0.0696  0.8129  0.8171  1
  H  H2  2  0.0000  0.5000  0.7500  1
  C  C3  8  0.1126  0.7555  0.1245  1
  C  C4  2  0.0000  0.0000  0.5000  1
]