data_[Cs12Ce4Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0022]
_cell_length_b [15.3596]
_cell_length_c [8.9436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0388]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3CeSe3]
_chemical_formula_sum '[Cs12 Ce4 Se12]'
_cell_volume [1352.9624]
_cell_formula_units_Z [4]
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  0.0000  0.1820  0.5000  1.0
  Cs  Cs1  4  0.0000  0.2483  0.0000  1.0
  Cs  Cs2  4  0.1230  0.5000  0.3650  1.0
  Ce  Ce3  4  0.1827  0.0000  0.1397  1.0
  Se  Se4  8  0.1878  0.3527  0.7259  1.0
  Se  Se5  4  0.0929  0.0000  0.8131  1.0
]