data_[Na16Hg4Au2]
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/m]
_cell_length_a [17.9490]
_cell_length_b [5.3129]
_cell_length_c [7.2367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na8Hg2Au]
_chemical_formula_sum '[Na16 Hg4 Au2]'
_cell_volume [646.7467]
_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  4  0.0170  0.0000  0.7807  1.0
  Na  Na1  4  0.1010  0.5000  0.4323  1.0
  Na  Na2  4  0.1567  0.5000  0.9416  1.0
  Na  Na3  4  0.1968  0.0000  0.2676  1.0
  Hg  Hg4  4  0.1809  0.0000  0.6928  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]