data_[Ba2Na4Hg18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3955]
_cell_length_b [7.3517]
_cell_length_c [5.5880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaNa2Hg9]
_chemical_formula_sum '[Ba2 Na4 Hg18]'
_cell_volume [658.4381]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1
  Na  Na1  4  0.1718  0.5000  0.6445  1
  Hg  Hg2  8  0.1794  0.2738  0.1475  1
  Hg  Hg3  4  0.0000  0.2873  0.5000  1
  Hg  Hg4  4  0.1530  0.0000  0.6025  1
  Hg  Hg5  2  0.0000  0.5000  0.0000  1
]