data_[Li18Mg8Au22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [13.5478]
_cell_length_b [19.7039]
_cell_length_c [3.0006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li9Mg4Au11]
_chemical_formula_sum '[Li18 Mg8 Au22]'
_cell_volume [800.9911]
_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  0.1060  0.0934  0.5000  1
  Li  Li1  8  0.1134  0.2721  0.5000  1
  Li  Li2  2  0.0000  0.5000  0.5000  1
  Mg  Mg3  8  0.1703  0.4122  0.5000  1
  Au  Au4  8  0.2219  0.1791  0.0000  1
  Au  Au5  4  0.0000  0.1866  0.0000  1
  Au  Au6  4  0.0000  0.3785  0.0000  1
  Au  Au7  4  0.2135  0.0000  0.0000  1
  Au  Au8  2  0.0000  0.0000  0.0000  1
]