data_[Li4Ce4U8Se20]
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
  U  1.3800  1.7500  0.9913
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.4646]
_cell_length_b [7.4646]
_cell_length_c [14.2257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [LiCeU2Se5]
_chemical_formula_sum '[Li4 Ce4 U8 Se20]'
_cell_volume [792.6624]
_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
[
  Li  Li0  4  0.0000  0.5000  0.2500  1
  Ce  Ce1  4  0.0000  0.0000  0.2500  1
  U  U2  8  0.1157  0.3843  0.0000  1
  Se  Se3  16  0.1776  0.3224  0.3576  1
  Se  Se4  4  0.0000  0.0000  0.0000  1
]