data_[Li2Ce4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9975]
_cell_length_b [6.1002]
_cell_length_c [8.2842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li(CeSe2)2]
_chemical_formula_sum '[Li2 Ce4 Se8]'
_cell_volume [337.6315]
_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
[
  Li  Li0  2  0.2405  0.2500  0.1847  1.0
  Ce  Ce1  2  0.2445  0.7500  0.4389  1.0
  Ce  Ce2  2  0.2540  0.7500  0.9363  1.0
  Se  Se3  4  0.4836  0.0101  0.7450  1.0
  Se  Se4  2  0.0589  0.2500  0.8880  1.0
  Se  Se5  2  0.0637  0.2500  0.3930  1.0
]