data_[Li6Ce4Au2S12]
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
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0770]
_cell_length_b [4.0694]
_cell_length_c [7.6495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Ce2AuS6]
_chemical_formula_sum '[Li6 Ce4 Au2 S12]'
_cell_volume [512.1652]
_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  0.1639  0.0000  0.8136  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  4  0.1535  0.0000  0.2989  1.0
  Au  Au3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.0074  0.0000  0.7551  1.0
  S  S5  4  0.1681  0.5000  0.5671  1.0
  S  S6  4  0.1727  0.5000  0.0701  1.0
]