data_[Ba4Li4Al4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.9979]
_cell_length_b [12.3419]
_cell_length_c [6.4598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaLiAlAu3]
_chemical_formula_sum '[Ba4 Li4 Al4 Au12]'
_cell_volume [557.9194]
_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
[
  Ba  Ba0  4  0.0000  0.2787  0.7500  1
  Li  Li1  4  0.0000  0.0197  0.7500  1
  Al  Al2  4  0.0000  0.3918  0.2500  1
  Au  Au3  8  0.2192  0.5000  0.0000  1
  Au  Au4  4  0.0000  0.1870  0.2500  1
]