data_[Na4Li12Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5503]
_cell_length_b [4.4813]
_cell_length_c [8.4959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaLi3Au2]
_chemical_formula_sum '[Na4 Li12 Au8]'
_cell_volume [450.3915]
_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
[
  Na  Na0  4  0.1369  0.0000  0.0221  1.0
  Li  Li1  4  0.0449  0.0000  0.3710  1.0
  Li  Li2  4  0.0907  0.5000  0.7201  1.0
  Li  Li3  4  0.2172  0.5000  0.5483  1.0
  Au  Au4  4  0.0702  0.5000  0.1975  1.0
  Au  Au5  4  0.1970  0.0000  0.7107  1.0
]