data_[Na4Hg15Au1]
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 [P4/mmm]
_cell_length_a [4.7299]
_cell_length_b [4.7299]
_cell_length_c [22.3882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Na4Hg15Au]
_chemical_formula_sum '[Na4 Hg15 Au1]'
_cell_volume [500.8748]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.1919  1
  Na  Na1  2  0.0000  0.0000  0.3973  1
  Hg  Hg2  4  0.0000  0.5000  0.0934  1
  Hg  Hg3  4  0.0000  0.5000  0.2952  1
  Hg  Hg4  2  0.0000  0.5000  0.5000  1
  Hg  Hg5  2  0.5000  0.5000  0.1937  1
  Hg  Hg6  2  0.5000  0.5000  0.3970  1
  Hg  Hg7  1  0.5000  0.5000  0.0000  1
  Au  Au8  1  0.0000  0.0000  0.0000  1
]