data_[Na36Hg3Au21]
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 [R-3]
_cell_length_a [13.4811]
_cell_length_b [13.4811]
_cell_length_c [9.3873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na12HgAu7]
_chemical_formula_sum '[Na36 Hg3 Au21]'
_cell_volume [1477.4767]
_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  18  0.0371  0.1809  0.2337  1
  Na  Na1  18  0.0451  0.2566  0.5893  1
  Hg  Hg2  3  0.0000  0.0000  0.0000  1
  Au  Au3  18  0.0736  0.2504  0.9214  1
  Au  Au4  3  0.0000  0.0000  0.5000  1
]