data_[Ce12C6S2F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4536]
_cell_length_b [3.7084]
_cell_length_c [7.5867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6C3SF2]
_chemical_formula_sum '[Ce12 C6 S2 F4]'
_cell_volume [446.0638]
_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  0.0028  0.0000  0.7296  1.0
  Ce  Ce1  4  0.1597  0.5000  0.5997  1.0
  Ce  Ce2  4  0.1750  0.5000  0.0717  1.0
  C  C3  4  0.1654  0.0000  0.8287  1.0
  C  C4  2  0.0000  0.5000  0.5000  1.0
  S  S5  2  0.0000  0.5000  0.0000  1.0
  F  F6  4  0.1704  0.0000  0.3385  1.0
]