data_[Ba24Na9Rh3Au9]
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
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.5001]
_cell_length_b [9.5001]
_cell_length_c [29.1346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba8Na3RhAu3]
_chemical_formula_sum '[Ba24 Na9 Rh3 Au9]'
_cell_volume [2277.1476]
_cell_formula_units_Z [3]
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  18  0.0186  0.5093  0.2261  1.0
  Ba  Ba1  6  0.0000  0.0000  0.2270  1.0
  Na  Na2  9  0.0000  0.5000  0.0000  1.0
  Rh  Rh3  3  -0.0000  -0.0000  0.5000  1.0
  Au  Au4  9  0.0000  0.5000  0.5000  1.0
]