data_[Cs8Ce6Zn2Se16]
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
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5773]
_cell_length_b [8.9464]
_cell_length_c [8.5270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs4Ce3ZnSe8]
_chemical_formula_sum '[Cs8 Ce6 Zn2 Se16]'
_cell_volume [1110.8409]
_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  0.2500  0.2500  0.0000  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0000  1.0
  Cs  Cs2  2  0.0000  0.5000  0.0000  1.0
  Ce  Ce3  4  0.2500  0.2500  0.5000  1.0
  Ce  Ce4  2  0.0000  0.5000  0.5000  1.0
  Zn  Zn5  2  0.0000  0.0000  0.5000  1.0
  Se  Se6  8  0.0816  0.2631  0.3089  1.0
  Se  Se7  4  0.1485  0.0000  0.6637  1.0
  Se  Se8  4  0.1748  0.5000  0.6888  1.0
]