data_[Ba3Na2Li2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P-3m1]
_cell_length_a [4.8260]
_cell_length_b [4.8260]
_cell_length_c [16.9468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Na2(LiAu2)2]
_chemical_formula_sum '[Ba3 Na2 Li2 Au4]'
_cell_volume [341.8136]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2661  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  Na  Na2  2  0.3333  0.6667  0.4437  1.0
  Li  Li3  2  0.3333  0.6667  0.8657  1.0
  Au  Au4  2  0.3333  0.6667  0.1303  1.0
  Au  Au5  2  0.3333  0.6667  0.6291  1.0
]