data_[Li8Ce8Si12]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3995]
_cell_length_b [18.3401]
_cell_length_c [6.7339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2Ce2Si3]
_chemical_formula_sum '[Li8 Ce8 Si12]'
_cell_volume [543.3390]
_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  8  0.0000  0.1888  0.0611  1.0
  Ce  Ce1  4  0.0000  0.3434  0.2500  1.0
  Ce  Ce2  4  0.0000  0.4495  0.7500  1.0
  Si  Si3  8  0.0000  0.0591  0.5728  1.0
  Si  Si4  4  0.0000  0.2798  0.7500  1.0
]