data_[Cs4Ce4Cr2Se12]
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
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2175]
_cell_length_b [12.2867]
_cell_length_c [8.8993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ce2CrSe6]
_chemical_formula_sum '[Cs4 Ce4 Cr2 Se12]'
_cell_volume [756.7867]
_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  0.0000  0.1727  0.0000  1.0
  Ce  Ce1  4  0.0000  0.3327  0.5000  1.0
  Cr  Cr2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2155  0.1510  0.6777  1.0
  Se  Se4  4  0.2386  0.0000  0.3249  1.0
]