data_[Ce16H4C6]
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 [C2/m]
_cell_length_a [12.4482]
_cell_length_b [6.9713]
_cell_length_c [6.1177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8H2C3]
_chemical_formula_sum '[Ce16 H4 C6]'
_cell_volume [502.4133]
_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  0.1201  0.2504  0.4140  1.0
  Ce  Ce1  4  0.1240  0.0000  0.9144  1.0
  Ce  Ce2  4  0.1251  0.5000  0.9303  1.0
  H  H3  4  0.2481  0.0000  0.3368  1.0
  C  C4  4  0.0000  0.2492  0.0000  1.0
  C  C5  2  0.0000  0.0000  0.5000  1.0
]