data_[Li24Si8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7864]
_cell_length_b [12.4255]
_cell_length_c [6.3558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li3SiAu]
_chemical_formula_sum '[Li24 Si8 Au8]'
_cell_volume [665.2881]
_cell_formula_units_Z [8]
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  0.1180  0.1401  0.0978  1.0
  Li  Li1  8  0.1562  0.4776  0.6241  1.0
  Li  Li2  8  0.1716  0.1952  0.6589  1.0
  Si  Si3  8  0.0922  0.3330  0.9280  1.0
  Au  Au4  4  0.0000  0.0205  0.7500  1.0
  Au  Au5  4  0.0000  0.3265  0.2500  1.0
]