data_[Ba6Na6Hg9]
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 [R3m]
_cell_length_a [5.6857]
_cell_length_b [5.6857]
_cell_length_c [27.0661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba2Na2Hg3]
_chemical_formula_sum '[Ba6 Na6 Hg9]'
_cell_volume [757.7521]
_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  0.2478  1
  Ba  Ba1  3  0.0000  0.0000  0.7544  1
  Na  Na2  3  0.0000  0.0000  0.0009  1
  Na  Na3  3  0.0000  0.0000  0.4988  1
  Hg  Hg4  3  0.0000  0.0000  0.1217  1
  Hg  Hg5  3  0.0000  0.0000  0.3760  1
  Hg  Hg6  3  0.0000  0.0000  0.6255  1
]