data_[Li4Ce8Al4Se20]
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
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0258]
_cell_length_b [17.8005]
_cell_length_c [11.9556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiCe2AlSe5]
_chemical_formula_sum '[Li4 Ce8 Al4 Se20]'
_cell_volume [856.7562]
_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  0.2125  0.0192  1.0
  Ce  Ce1  4  0.0000  0.1220  0.6822  1.0
  Ce  Ce2  4  0.0000  0.1321  0.3072  1.0
  Al  Al3  4  0.0000  0.4307  0.4522  1.0
  Se  Se4  4  0.0000  0.0438  0.0609  1.0
  Se  Se5  4  0.0000  0.2929  0.6678  1.0
  Se  Se6  4  0.0000  0.3129  0.3554  1.0
  Se  Se7  4  0.0000  0.3577  0.9996  1.0
  Se  Se8  4  0.0000  0.4995  0.2795  1.0
]