data_[Ce12C6S2Cl4]
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
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2781]
_cell_length_b [3.7541]
_cell_length_c [7.9966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6C3SCl2]
_chemical_formula_sum '[Ce12 C6 S2 Cl4]'
_cell_volume [492.1421]
_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  0.0086  0.0000  0.7313  1.0
  Ce  Ce1  4  0.1538  0.5000  0.6133  1.0
  Ce  Ce2  4  0.1753  0.5000  0.0575  1.0
  C  C3  4  0.1653  0.0000  0.8341  1.0
  C  C4  2  0.0000  0.5000  0.5000  1.0
  S  S5  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl6  4  0.1692  0.0000  0.3387  1.0
]