data_[Ba3Na6Hg3Cl18]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2189]
_cell_length_b [7.2189]
_cell_length_c [19.4036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [BaNa2HgCl6]
_chemical_formula_sum '[Ba3 Na6 Hg3 Cl18]'
_cell_volume [875.6965]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.8072  1.0
  Na  Na1  3  0.0000  0.0000  0.0124  1.0
  Na  Na2  3  0.0000  0.0000  0.5193  1.0
  Hg  Hg3  3  0.0000  0.0000  0.3178  1.0
  Cl  Cl4  9  0.0079  0.3544  0.5865  1.0
  Cl  Cl5  9  0.0680  0.7057  0.0813  1.0
]