data_[Na16Ag4Au4]
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 [6.0828]
_cell_length_b [16.7559]
_cell_length_c [5.7053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na4AgAu]
_chemical_formula_sum '[Na16 Ag4 Au4]'
_cell_volume [581.3177]
_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  0.2456  0.0226  0.0910  1
  Na  Na1  8  0.2492  0.2012  0.2599  1
  Ag  Ag2  4  0.0000  0.3661  0.2500  1
  Au  Au3  4  0.0000  0.1350  0.7500  1
]