data_[Li18Ga36Au3]
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 [R-3]
_cell_length_a [9.8983]
_cell_length_b [9.8983]
_cell_length_c [11.4178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6Ga12Au]
_chemical_formula_sum '[Li18 Ga36 Au3]'
_cell_volume [968.7900]
_cell_formula_units_Z [3]
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  18  0.0241  0.4323  0.7080  1
  Ga  Ga1  18  0.0391  0.1904  0.8150  1
  Ga  Ga2  18  0.0532  0.8555  0.4075  1
  Au  Au3  3  0.0000  0.0000  0.0000  1
]