data_[Li4Ce8Au8]
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 [Cmc2_1]
_cell_length_a [4.7325]
_cell_length_b [16.1450]
_cell_length_c [5.8908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li(CeAu)2]
_chemical_formula_sum '[Li4 Ce8 Au8]'
_cell_volume [450.0940]
_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  0.0000  0.4061  0.0329  1.0
  Ce  Ce1  4  0.0000  0.0252  0.8205  1.0
  Ce  Ce2  4  0.0000  0.2171  0.8522  1.0
  Au  Au3  4  0.0000  0.1590  0.3643  1.0
  Au  Au4  4  0.0000  0.3997  0.5645  1.0
]