data_[Ce6C2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.7610]
_cell_length_b [5.5681]
_cell_length_c [12.2532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce3CCl2]
_chemical_formula_sum '[Ce6 C2 Cl4]'
_cell_volume [256.5966]
_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  0.0000  0.5000  0.3618  1.0
  Ce  Ce1  2  0.0000  0.5000  0.0000  1.0
  C  C2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.0000  0.0000  0.3262  1.0
]