data_[Cs4Ce4Cd2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ce  1.1200  1.8500  1.0800
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0233]
_cell_length_b [12.4968]
_cell_length_c [8.6084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9696]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ce2CdS6]
_chemical_formula_sum '[Cs4 Ce4 Cd2 S12]'
_cell_volume [729.8997]
_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
[
  Cs  Cs0  4  0.0000  0.1602  0.0000  1.0
  Ce  Ce1  4  0.0000  0.3344  0.5000  1.0
  Cd  Cd2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2293  0.1761  0.6796  1.0
  S  S4  4  0.2258  0.5000  0.6724  1.0
]