data_[Cs2Ce2Al2Se8]
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
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8300]
_cell_length_b [6.9911]
_cell_length_c [9.9452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCeAlSe4]
_chemical_formula_sum '[Cs2 Ce2 Al2 Se8]'
_cell_volume [449.5032]
_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  2  0.2527  0.2500  0.0550  1.0
  Ce  Ce1  2  0.2302  0.2500  0.5507  1.0
  Al  Al2  2  0.2274  0.7500  0.3408  1.0
  Se  Se3  4  0.0160  0.5096  0.6942  1.0
  Se  Se4  2  0.4274  0.7500  0.1856  1.0
  Se  Se5  2  0.4516  0.7500  0.5800  1.0
]