data_[Li4Ce8Ag4S20]
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
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0222]
_cell_length_b [16.3421]
_cell_length_c [10.9892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiCe2AgS5]
_chemical_formula_sum '[Li4 Ce8 Ag4 S20]'
_cell_volume [722.3408]
_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  0.4217  0.4891  1.0
  Ce  Ce1  4  0.0000  0.1156  0.2933  1.0
  Ce  Ce2  4  0.0000  0.1197  0.6861  1.0
  Ag  Ag3  4  0.0000  0.2061  0.9939  1.0
  S  S4  4  0.0000  0.0307  0.0725  1.0
  S  S5  4  0.0000  0.2996  0.3325  1.0
  S  S6  4  0.0000  0.3033  0.6650  1.0
  S  S7  4  0.0000  0.3632  0.9998  1.0
  S  S8  4  0.0000  0.4900  0.2918  1.0
]