data_[Ba12Na2Ir2Au2]
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
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [8.3535]
_cell_length_b [8.3535]
_cell_length_c [15.8766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [Ba6NaIrAu]
_chemical_formula_sum '[Ba12 Na2 Ir2 Au2]'
_cell_volume [959.4427]
_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  12  0.0191  0.3774  0.1385  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir2  2  0.3333  0.6667  0.2500  1.0
  Au  Au3  2  0.3333  0.6667  0.7500  1.0
]