data_[Na12Hg4Au4]
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 [15.8081]
_cell_length_b [4.2905]
_cell_length_c [8.5796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3HgAu]
_chemical_formula_sum '[Na12 Hg4 Au4]'
_cell_volume [581.8092]
_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  0.0572  0.5000  0.7850  1.0
  Na  Na1  4  0.1046  0.0000  0.4325  1.0
  Na  Na2  4  0.2437  0.5000  0.1877  1.0
  Hg  Hg3  4  0.0893  0.0000  0.0648  1.0
  Au  Au4  4  0.2061  0.5000  0.5771  1.0
]