data_[Na18Sn6Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4422]
_cell_length_b [5.4422]
_cell_length_c [30.3253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na6Sn2Au]
_chemical_formula_sum '[Na18 Sn6 Au3]'
_cell_volume [777.8199]
_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  6  0.0000  0.0000  0.1932  1.0
  Na  Na1  6  0.0000  0.0000  0.3023  1.0
  Na  Na2  6  0.0000  0.0000  0.4225  1.0
  Sn  Sn3  6  0.0000  0.0000  0.0880  1.0
  Au  Au4  3  0.0000  0.0000  0.0000  1.0
]