data_[Cs6Ba3Ce9Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.7761]
_cell_length_b [8.7761]
_cell_length_c [24.6942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Cs2BaCe3Se8]
_chemical_formula_sum '[Cs6 Ba3 Ce9 Se24]'
_cell_volume [1647.1487]
_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  0.5034  1.0
  Cs  Cs1  3  0.0000  0.0000  0.8665  1.0
  Ba  Ba2  3  0.0000  0.0000  0.1199  1.0
  Ce  Ce3  9  0.1676  0.8324  0.3338  1.0
  Se  Se4  9  0.0324  0.5162  0.2776  1.0
  Se  Se5  9  0.1822  0.3644  0.0627  1.0
  Se  Se6  3  0.0000  0.0000  0.2686  1.0
  Se  Se7  3  0.0000  0.0000  0.7265  1.0
]