data_[Na3Hg6Au3]
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 [R3m]
_cell_length_a [4.8447]
_cell_length_b [4.8447]
_cell_length_c [15.0855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaHg2Au]
_chemical_formula_sum '[Na3 Hg6 Au3]'
_cell_volume [306.6425]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4874  1.0
  Hg  Hg1  3  0.0000  0.0000  0.0557  1.0
  Hg  Hg2  3  0.0000  0.0000  0.2684  1.0
  Au  Au3  3  0.0000  0.0000  0.6886  1.0
]