data_[Cs4Ce3Pb1Se8]
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 [P-3m1]
_cell_length_a [8.8284]
_cell_length_b [8.8284]
_cell_length_c [8.5386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs4Ce3PbSe8]
_chemical_formula_sum '[Cs4 Ce3 Pb1 Se8]'
_cell_volume [576.3362]
_cell_formula_units_Z [1]
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  0.5000  0.0000  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  Ce  Ce2  3  0.0000  0.5000  0.5000  1.0
  Pb  Pb3  1  0.0000  0.0000  0.5000  1.0
  Se  Se4  6  0.1743  0.8257  0.6882  1.0
  Se  Se5  2  0.3333  0.6667  0.3144  1.0
]