data_[Cs3Ba6Ce9S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.5938]
_cell_length_b [8.5938]
_cell_length_c [22.6155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CsBa2Ce3S8]
_chemical_formula_sum '[Cs3 Ba6 Ce9 S24]'
_cell_volume [1446.4765]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1311  1.0
  Ba  Ba1  3  0.0000  0.0000  0.4989  1.0
  Ba  Ba2  3  0.0000  0.0000  0.8777  1.0
  Ce  Ce3  9  0.0030  0.5015  0.0008  1.0
  S  S4  9  0.0373  0.5187  0.2659  1.0
  S  S5  9  0.1899  0.3798  0.0638  1.0
  S  S6  3  0.0000  0.0000  0.2750  1.0
  S  S7  3  0.0000  0.0000  0.7329  1.0
]