data_[Ce4U8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pnma]
_cell_length_a [12.4207]
_cell_length_b [8.2555]
_cell_length_c [7.7892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CeU2Se5]
_chemical_formula_sum '[Ce4 U8 Se20]'
_cell_volume [798.6928]
_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
[
  Ce  Ce0  4  0.0077  0.7500  0.9150  1
  U  U1  8  0.1814  0.0003  0.4888  1
  Se  Se2  8  0.1052  0.0491  0.8379  1
  Se  Se3  4  0.0007  0.7500  0.5298  1
  Se  Se4  4  0.1840  0.7500  0.1782  1
  Se  Se5  4  0.2190  0.2500  0.2105  1
]