data_[Ba12Na4Au2]
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 [P2_1/c]
_cell_length_a [8.2120]
_cell_length_b [9.5726]
_cell_length_c [14.9784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Na2Au]
_chemical_formula_sum '[Ba12 Na4 Au2]'
_cell_volume [985.5871]
_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
[
  Ba  Ba0  4  0.1360  0.5187  0.7492  1.0
  Ba  Ba1  4  0.2080  0.1800  0.5448  1.0
  Ba  Ba2  4  0.3896  0.6921  0.5471  1.0
  Na  Na3  4  0.3289  0.6046  0.2537  1.0
  Au  Au4  2  0.5000  0.0000  0.5000  1.0
]