data_[Li12Si4Au24]
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 [Cmc2_1]
_cell_length_a [9.6717]
_cell_length_b [15.2030]
_cell_length_c [4.9281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li3SiAu6]
_chemical_formula_sum '[Li12 Si4 Au24]'
_cell_volume [724.6157]
_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  8  0.1718  0.0877  0.1715  1.0
  Li  Li1  4  0.0000  0.3917  0.6283  1.0
  Si  Si2  4  0.0000  0.2072  0.4687  1.0
  Au  Au3  8  0.1529  0.4539  0.1522  1.0
  Au  Au4  8  0.2100  0.2851  0.3398  1.0
  Au  Au5  4  0.0000  0.0544  0.6343  1.0
  Au  Au6  4  0.0000  0.2238  0.9564  1.0
]