data_[Ba4Li8Hg4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8435]
_cell_length_b [11.0274]
_cell_length_c [8.0090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaLi2HgCl6]
_chemical_formula_sum '[Ba4 Li8 Hg4 Cl24]'
_cell_volume [1104.9942]
_cell_formula_units_Z [4]
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  0.1674  0.2500  1.0
  Li  Li1  8  0.1881  0.4633  0.2196  1.0
  Hg  Hg2  4  0.0000  0.2363  0.7500  1.0
  Cl  Cl3  8  0.1192  0.0631  0.6624  1.0
  Cl  Cl4  8  0.1390  0.2668  0.0532  1.0
  Cl  Cl5  8  0.1391  0.3995  0.4646  1.0
]