data_[Li8Ce6Pd2S16]
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
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5843]
_cell_length_b [7.6581]
_cell_length_c [7.5539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4Ce3PdS8]
_chemical_formula_sum '[Li8 Ce6 Pd2 S16]'
_cell_volume [669.7880]
_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  4  0.2500  0.2500  0.5000  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Li  Li2  2  0.0000  0.5000  0.0000  1.0
  Ce  Ce3  4  0.2500  0.2500  0.0000  1.0
  Ce  Ce4  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd5  2  0.0000  0.0000  0.5000  1.0
  S  S6  8  0.0073  0.2201  0.7404  1.0
  S  S7  4  0.2097  0.5000  0.2143  1.0
  S  S8  4  0.2434  0.5000  0.7286  1.0
]