data_[Na16Ag2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7840]
_cell_length_b [5.3342]
_cell_length_c [7.2287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na8AgHg2]
_chemical_formula_sum '[Na16 Ag2 Hg4]'
_cell_volume [645.7392]
_cell_formula_units_Z [2]
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  0.0184  0.0000  0.7729  1
  Na  Na1  4  0.1050  0.5000  0.4352  1
  Na  Na2  4  0.1597  0.5000  0.9370  1
  Na  Na3  4  0.1909  0.0000  0.2572  1
  Ag  Ag4  2  0.0000  0.5000  0.0000  1
  Hg  Hg5  4  0.1836  0.0000  0.6890  1
]