data_[Na9As3Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.6621]
_cell_length_b [5.6621]
_cell_length_c [27.3307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Na3AsAu8]
_chemical_formula_sum '[Na9 As3 Au24]'
_cell_volume [758.8046]
_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
[
  Na  Na0  3  0.0000  0.0000  0.3768  1
  Na  Na1  3  0.0000  0.0000  0.5079  1
  Na  Na2  3  0.0000  0.0000  0.9951  1
  As  As3  3  0.0000  0.0000  0.8488  1
  Au  Au4  9  0.0005  0.5003  0.9412  1
  Au  Au5  9  0.1708  0.3416  0.7720  1
  Au  Au6  3  0.0000  0.0000  0.1919  1
  Au  Au7  3  0.0000  0.0000  0.6898  1
]