data_[Li26Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.2548]
_cell_length_b [5.8270]
_cell_length_c [9.8153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li13Au3]
_chemical_formula_sum '[Li26 Au6]'
_cell_volume [529.3151]
_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  8  0.2382  0.2427  0.2510  1.0
  Li  Li1  4  0.0000  0.2329  0.0743  1.0
  Li  Li2  4  0.2380  0.0000  0.4954  1.0
  Li  Li3  4  0.5000  0.2412  0.9259  1.0
  Li  Li4  2  0.0000  0.0000  0.8394  1.0
  Li  Li5  2  0.5000  0.0000  0.1635  1.0
  Li  Li6  2  0.5000  0.0000  0.6750  1.0
  Au  Au7  4  0.2574  0.0000  0.9983  1.0
  Au  Au8  2  0.0000  0.0000  0.3304  1.0
]