data_[Li4Ce4S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9943]
_cell_length_b [8.3482]
_cell_length_c [7.5863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiCeS3]
_chemical_formula_sum '[Li4 Ce4 S12]'
_cell_volume [442.7986]
_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  0.1843  0.6982  0.5599  1.0
  Ce  Ce1  4  0.3099  0.1430  0.3542  1.0
  S  S2  4  0.0626  0.5091  0.1259  1.0
  S  S3  4  0.1871  0.0996  0.0167  1.0
  S  S4  4  0.4298  0.6744  0.8488  1.0
]