data_[Ba12Na2Au4]
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 [C2/m]
_cell_length_a [15.1611]
_cell_length_b [6.5710]
_cell_length_c [11.1351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6NaAu2]
_chemical_formula_sum '[Ba12 Na2 Au4]'
_cell_volume [982.9319]
_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  0.0108  0.0000  0.1878  1.0
  Ba  Ba1  4  0.1648  0.5000  0.5598  1.0
  Ba  Ba2  4  0.1963  0.5000  0.0970  1.0
  Na  Na3  2  0.0000  0.0000  0.5000  1.0
  Au  Au4  4  0.1918  0.0000  0.1071  1.0
]