data_[Na20Ag4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7798]
_cell_length_b [8.3979]
_cell_length_c [10.7576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1891]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na5AgAu]
_chemical_formula_sum '[Na20 Ag4 Au4]'
_cell_volume [793.0111]
_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  8  0.1494  0.4033  0.5000  1.0
  Na  Na1  8  0.1855  0.2077  0.8213  1.0
  Na  Na2  4  0.0000  0.1436  0.2500  1.0
  Ag  Ag3  4  0.0000  0.0000  0.0000  1.0
  Au  Au4  4  0.0000  0.4964  0.2500  1.0
]