data_[Na16Hg4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0841]
_cell_length_b [13.9408]
_cell_length_c [5.5822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na4HgAu]
_chemical_formula_sum '[Na16 Hg4 Au4]'
_cell_volume [668.5897]
_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  0.1181  0.1793  0.5695  1
  Na  Na1  8  0.2022  0.4247  0.8482  1
  Hg  Hg2  4  0.0000  0.3724  0.2500  1
  Au  Au3  4  0.0000  0.0002  0.2500  1
]