data_[Li12La8Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.0703]
_cell_length_b [15.9138]
_cell_length_c [7.9288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li3(LaAu2)2]
_chemical_formula_sum '[Li12 La8 Au16]'
_cell_volume [765.9375]
_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  8  0.2500  0.2127  0.7500  1.0
  Li  Li1  4  0.0000  0.0000  0.0000  1.0
  La  La2  8  0.0000  0.1167  0.4180  1.0
  Au  Au3  8  0.0000  0.1875  0.0408  1.0
  Au  Au4  8  0.2500  0.0442  0.7500  1.0
]