data_[Li12Ga12Au8]
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 [4.4763]
_cell_length_b [9.5736]
_cell_length_c [12.5878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li3Ga3Au2]
_chemical_formula_sum '[Li12 Ga12 Au8]'
_cell_volume [539.4468]
_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  0.0834  0.5906  1.0
  Li  Li1  4  0.0000  0.2831  0.7500  1.0
  Ga  Ga2  8  0.0000  0.3921  0.5579  1.0
  Ga  Ga3  4  0.0000  0.4386  0.2500  1.0
  Au  Au4  8  0.0000  0.2209  0.1202  1.0
]