data_[Ba4Na4Au8]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.6348]
_cell_length_b [4.7832]
_cell_length_c [11.4102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaNaAu2]
_chemical_formula_sum '[Ba4 Na4 Au8]'
_cell_volume [471.2649]
_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  0.1505  0.2500  0.8555  1.0
  Na  Na1  4  0.0249  0.7500  0.5995  1.0
  Au  Au2  4  0.1401  0.2500  0.1730  1.0
  Au  Au3  4  0.2468  0.7500  0.0607  1.0
]