data_[Ba2Na8Hg2]
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 [12.7890]
_cell_length_b [5.7315]
_cell_length_c [7.0135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaNa4Hg]
_chemical_formula_sum '[Ba2 Na8 Hg2]'
_cell_volume [460.4314]
_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  0.5000  0.0000  1.0
  Na  Na1  4  0.1209  0.0000  0.7420  1.0
  Na  Na2  4  0.2236  0.0000  0.3291  1.0
  Hg  Hg3  2  0.0000  0.5000  0.5000  1.0
]