data_[Ce12C6Br2Cl4]
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
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0436]
_cell_length_b [3.6984]
_cell_length_c [8.4307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6C3BrCl2]
_chemical_formula_sum '[Ce12 C6 Br2 Cl4]'
_cell_volume [516.7442]
_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  0.0128  0.0000  0.7138  1.0
  Ce  Ce1  4  0.1537  0.5000  0.6159  1.0
  Ce  Ce2  4  0.1811  0.5000  0.0518  1.0
  C  C3  4  0.1664  0.0000  0.8326  1.0
  C  C4  2  0.0000  0.5000  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl6  4  0.1677  0.0000  0.3351  1.0
]