data_[Cs9Ce9Pb3Se24]
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
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7447]
_cell_length_b [8.7447]
_cell_length_c [25.1681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3Ce3PbSe8]
_chemical_formula_sum '[Cs9 Ce9 Pb3 Se24]'
_cell_volume [1666.7454]
_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  9  0.0000  0.5000  0.5000  1.0
  Ce  Ce1  9  0.0000  0.5000  0.0000  1.0
  Pb  Pb2  3  0.0000  0.0000  0.0000  1.0
  Se  Se3  18  0.0203  0.5102  0.2716  1.0
  Se  Se4  6  0.0000  0.0000  0.2713  1.0
]