data_[Li2Ce4Y6S12]
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
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8300]
_cell_length_b [11.8475]
_cell_length_c [6.8568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCe2(YS2)3]
_chemical_formula_sum '[Li2 Ce4 Y6 S12]'
_cell_volume [522.8643]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  4  0.0000  0.3342  0.0000  1.0
  Y  Y2  4  0.0000  0.1660  0.5000  1.0
  Y  Y3  2  0.0000  0.5000  0.5000  1.0
  S  S4  8  0.2467  0.1624  0.2540  1.0
  S  S5  4  0.2393  0.0000  0.7481  1.0
]