data_[Ba4Li8Hg4Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.5832]
_cell_length_b [11.8102]
_cell_length_c [8.3697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaLi2HgBr6]
_chemical_formula_sum '[Ba4 Li8 Hg4 Br24]'
_cell_volume [1306.2754]
_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  0.1681  0.2500  1.0
  Li  Li1  8  0.1786  0.4628  0.2184  1.0
  Hg  Hg2  4  0.0000  0.2172  0.7500  1.0
  Br  Br3  8  0.1216  0.0594  0.6616  1.0
  Br  Br4  8  0.1361  0.3941  0.4707  1.0
  Br  Br5  8  0.1392  0.2652  0.0540  1.0
]