data_[Ba8Na24Hg8]
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/c]
_cell_length_a [19.3918]
_cell_length_b [10.9689]
_cell_length_c [7.2853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3198]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaNa3Hg]
_chemical_formula_sum '[Ba8 Na24 Hg8]'
_cell_volume [1524.5705]
_cell_formula_units_Z [8]
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  0.0000  0.0724  0.7500  1
  Ba  Ba1  4  0.0000  0.3592  0.2500  1
  Na  Na2  8  0.1719  0.1712  0.5757  1
  Na  Na3  8  0.1757  0.1660  0.0927  1
  Na  Na4  8  0.1864  0.4980  0.1042  1
  Hg  Hg5  8  0.0840  0.3466  0.8052  1
]