data_[Li4Ce12Se24]
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 [Cmc2_1]
_cell_length_a [11.2202]
_cell_length_b [13.6243]
_cell_length_c [6.9949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li(CeSe2)3]
_chemical_formula_sum '[Li4 Ce12 Se24]'
_cell_volume [1069.2988]
_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  0.1902  0.5141  1.0
  Ce  Ce1  8  0.1790  0.1041  0.9805  1.0
  Ce  Ce2  4  0.0000  0.3930  0.8849  1.0
  Se  Se3  8  0.1601  0.4692  0.1800  1.0
  Se  Se4  8  0.1710  0.2683  0.7072  1.0
  Se  Se5  4  0.0000  0.0261  0.7043  1.0
  Se  Se6  4  0.0000  0.2300  0.1465  1.0
]