data_[Na16Hg6Au4]
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 [Cmmm]
_cell_length_a [8.9014]
_cell_length_b [15.1929]
_cell_length_c [5.3754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Na8Hg3Au2]
_chemical_formula_sum '[Na16 Hg6 Au4]'
_cell_volume [726.9643]
_cell_formula_units_Z [2]
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  0.2036  0.3764  0.5000  1
  Na  Na1  4  0.0000  0.1082  0.0000  1
  Na  Na2  4  0.0000  0.3112  0.0000  1
  Hg  Hg3  4  0.1707  0.5000  0.0000  1
  Hg  Hg4  2  0.0000  0.0000  0.5000  1
  Au  Au5  4  0.0000  0.2110  0.5000  1
]