data_[Cs6La4Ce2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4997]
_cell_length_b [12.9907]
_cell_length_c [8.4399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3La2CeS6]
_chemical_formula_sum '[Cs6 La4 Ce2 S12]'
_cell_volume [785.3283]
_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  0.1669  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  La  La2  4  0.0000  0.3334  0.0000  1.0
  Ce  Ce3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2270  0.8349  0.1859  1.0
  S  S5  4  0.2319  0.5000  0.1860  1.0
]