data_[Li12Ga8Au12]
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 [Cmcm]
_cell_length_a [4.4026]
_cell_length_b [9.3813]
_cell_length_c [13.4750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li3Ga2Au3]
_chemical_formula_sum '[Li12 Ga8 Au12]'
_cell_volume [556.5459]
_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  0.0000  0.0677  0.5958  1.0
  Li  Li1  4  0.0000  0.2808  0.7500  1.0
  Ga  Ga2  8  0.0000  0.2470  0.1038  1.0
  Au  Au3  8  0.0000  0.3892  0.5711  1.0
  Au  Au4  4  0.0000  0.4253  0.2500  1.0
]