data_[Ce8H4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9149]
_cell_length_b [4.0501]
_cell_length_c [10.6027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2HCl3]
_chemical_formula_sum '[Ce8 H4 Cl12]'
_cell_volume [607.9002]
_cell_formula_units_Z [4]
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  0.0955  0.5000  0.4526  1.0
  Ce  Ce1  4  0.1371  0.0000  0.7963  1.0
  H  H2  4  0.0735  0.5000  0.6598  1.0
  Cl  Cl3  4  0.0501  0.0000  0.2393  1.0
  Cl  Cl4  4  0.1588  0.5000  0.0062  1.0
  Cl  Cl5  4  0.2320  0.0000  0.6216  1.0
]