data_[Li12Ce4Au8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3121]
_cell_length_b [4.2104]
_cell_length_c [9.2844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3CeAu2]
_chemical_formula_sum '[Li12 Ce4 Au8]'
_cell_volume [468.3752]
_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  0.0637  0.0000  0.4066  1.0
  Li  Li1  4  0.0728  0.5000  0.6838  1.0
  Li  Li2  4  0.2267  0.5000  0.5708  1.0
  Ce  Ce3  4  0.1260  0.0000  0.0098  1.0
  Au  Au4  4  0.0760  0.5000  0.2174  1.0
  Au  Au5  4  0.1980  0.0000  0.7476  1.0
]