data_[Li12Al2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Amm2]
_cell_length_a [4.3937]
_cell_length_b [7.7564]
_cell_length_c [7.8992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li6AlAu]
_chemical_formula_sum '[Li12 Al2 Au2]'
_cell_volume [269.1973]
_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
[
  Li  Li0  4  0.0000  0.2155  0.1302  1.0
  Li  Li1  4  0.5000  0.2176  0.3708  1.0
  Li  Li2  2  0.0000  0.0000  0.4388  1.0
  Li  Li3  2  0.5000  0.0000  0.0555  1.0
  Al  Al4  2  0.5000  0.0000  0.6641  1.0
  Au  Au5  2  0.0000  0.0000  0.8400  1.0
]