data_[Li24Mg3Au18]
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 [R-3]
_cell_length_a [7.8492]
_cell_length_b [7.8492]
_cell_length_c [15.7727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li8MgAu6]
_chemical_formula_sum '[Li24 Mg3 Au18]'
_cell_volume [841.5536]
_cell_formula_units_Z [3]
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  18  0.0009  0.3307  0.1188  1.0
  Li  Li1  6  0.0000  0.0000  0.3323  1.0
  Mg  Mg2  3  0.0000  0.0000  0.0000  1.0
  Au  Au3  18  0.0003  0.6612  0.0481  1.0
]