data_[Li8Ga4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9058]
_cell_length_b [5.4153]
_cell_length_c [5.1919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2GaAu3]
_chemical_formula_sum '[Li8 Ga4 Au12]'
_cell_volume [389.6511]
_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  0.1699  0.3790  0.5838  1
  Ga  Ga1  4  0.0000  0.1295  0.7500  1
  Au  Au2  8  0.1676  0.1203  0.0710  1
  Au  Au3  4  0.0000  0.3804  0.2500  1
]