data_[Ba6Na4Hg8]
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 [12.1465]
_cell_length_b [4.9778]
_cell_length_c [10.8725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(NaHg2)2]
_chemical_formula_sum '[Ba6 Na4 Hg8]'
_cell_volume [656.8160]
_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  4  0.1257  0.5000  0.3812  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Na  Na2  4  0.1763  0.5000  0.7826  1.0
  Hg  Hg3  4  0.0835  0.0000  0.6292  1.0
  Hg  Hg4  4  0.2074  0.5000  0.0775  1.0
]