data_[Ba12Na4Hg2]
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 [P2_1/c]
_cell_length_a [7.7782]
_cell_length_b [10.5749]
_cell_length_c [14.1707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Na2Hg]
_chemical_formula_sum '[Ba12 Na4 Hg2]'
_cell_volume [995.2271]
_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  0.1182  0.0284  0.2318  1.0
  Ba  Ba1  4  0.1757  0.6736  0.0549  1.0
  Ba  Ba2  4  0.4394  0.1877  0.0538  1.0
  Na  Na3  4  0.3502  0.1160  0.7544  1.0
  Hg  Hg4  2  0.5000  0.0000  0.5000  1.0
]