data_[Na4Hg8Au8]
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 [10.6137]
_cell_length_b [4.6491]
_cell_length_c [10.4944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8386]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(HgAu)2]
_chemical_formula_sum '[Na4 Hg8 Au8]'
_cell_volume [457.9023]
_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  4  0.1689  0.0000  0.2100  1.0
  Hg  Hg1  4  0.1105  0.5000  0.9498  1.0
  Hg  Hg2  4  0.1734  0.0000  0.5397  1.0
  Au  Au3  4  0.0146  0.5000  0.3686  1.0
  Au  Au4  4  0.1234  0.0000  0.7889  1.0
]