data_[Na20Hg4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6179]
_cell_length_b [7.5409]
_cell_length_c [8.6013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na5HgO3]
_chemical_formula_sum '[Na20 Hg4 O12]'
_cell_volume [638.5002]
_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  8  0.1658  0.1928  0.6720  1.0
  Na  Na1  4  0.0000  0.3102  0.0000  1.0
  Na  Na2  4  0.0741  0.5000  0.3750  1.0
  Na  Na3  4  0.2301  0.0000  0.0329  1.0
  Hg  Hg4  4  0.1097  0.0000  0.3046  1.0
  O  O5  4  0.1567  0.5000  0.6767  1.0
  O  O6  4  0.1692  0.5000  0.1643  1.0
  O  O7  2  0.0000  0.0000  0.0000  1.0
  O  O8  2  0.0000  0.0000  0.5000  1.0
]