data_[Li4Ga8Au12]
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/m]
_cell_length_a [17.5620]
_cell_length_b [4.2792]
_cell_length_c [5.9180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiGa2Au3]
_chemical_formula_sum '[Li4 Ga8 Au12]'
_cell_volume [432.7572]
_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  4  0.1050  0.0000  0.1361  1.0
  Ga  Ga1  4  0.0099  0.5000  0.7879  1.0
  Ga  Ga2  4  0.2214  0.0000  0.6688  1.0
  Au  Au3  4  0.0725  0.0000  0.6620  1.0
  Au  Au4  4  0.1416  0.5000  0.4245  1.0
  Au  Au5  4  0.1772  0.5000  0.9443  1.0
]