data_[La6Al4Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3385]
_cell_length_b [10.7384]
_cell_length_c [13.1837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3Al2Au9]
_chemical_formula_sum '[La6 Al4 Au18]'
_cell_volume [614.2112]
_cell_formula_units_Z [2]
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
[
  La  La0  4  0.0000  0.0000  0.3010  1
  La  La1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.0000  0.2017  0.5000  1
  Au  Au3  8  0.0000  0.2902  0.1274  1
  Au  Au4  8  0.0000  0.3706  0.3466  1
  Au  Au5  2  0.0000  0.5000  0.0000  1
]