data_[Ce12H4C6Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4728]
_cell_length_b [3.6565]
_cell_length_c [7.6687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8377]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6H2C3Cl]
_chemical_formula_sum '[Ce12 H4 C6 Cl2]'
_cell_volume [442.1096]
_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  0.0026  0.0000  0.7239  1.0
  Ce  Ce1  4  0.1615  0.5000  0.6008  1.0
  Ce  Ce2  4  0.1776  0.5000  0.0765  1.0
  H  H3  4  0.1681  0.0000  0.3363  1.0
  C  C4  4  0.1634  0.0000  0.8347  1.0
  C  C5  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl6  2  0.0000  0.5000  0.0000  1.0
]