data_[Na4Sn16Au8]
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 [Pnma]
_cell_length_a [19.5032]
_cell_length_b [4.5628]
_cell_length_c [7.8350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Na(Sn2Au)2]
_chemical_formula_sum '[Na4 Sn16 Au8]'
_cell_volume [697.2253]
_cell_formula_units_Z [4]
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  4  0.1432  0.7500  0.5413  1
  Sn  Sn1  4  0.0336  0.2500  0.3666  1
  Sn  Sn2  4  0.0666  0.7500  0.9891  1
  Sn  Sn3  4  0.1867  0.2500  0.8225  1
  Sn  Sn4  4  0.1868  0.2500  0.2431  1
  Au  Au5  4  0.0437  0.2500  0.7429  1
  Au  Au6  4  0.2200  0.7500  0.0346  1
]