data_[Ce4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9514]
_cell_length_b [3.9250]
_cell_length_c [14.0199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeCl2]
_chemical_formula_sum '[Ce4 Cl8]'
_cell_volume [377.3247]
_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  2  0.2237  0.7500  0.9984  1.0
  Ce  Ce1  2  0.2750  0.2500  0.4976  1.0
  Cl  Cl2  2  0.0398  0.2500  0.8667  1.0
  Cl  Cl3  2  0.1145  0.7500  0.6129  1.0
  Cl  Cl4  2  0.3740  0.7500  0.3664  1.0
  Cl  Cl5  2  0.4618  0.2500  0.1132  1.0
]