data_[Li4Si4Au16]
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 [13.7328]
_cell_length_b [4.7243]
_cell_length_c [6.9240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiSiAu4]
_chemical_formula_sum '[Li4 Si4 Au16]'
_cell_volume [442.6397]
_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  4  0.0000  0.1302  0.2500  1.0
  Si  Si1  4  0.2500  0.2500  0.0000  1.0
  Au  Au2  8  0.0729  0.3638  0.9238  1.0
  Au  Au3  8  0.1752  0.1622  0.6305  1.0
]