data_[Ba4Li2Al2Hg12]
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
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [7.4788]
_cell_length_b [7.5955]
_cell_length_c [10.6595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba2LiAlHg6]
_chemical_formula_sum '[Ba4 Li2 Al2 Hg12]'
_cell_volume [605.5122]
_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  0.0000  0.5000  0.2502  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Al  Al2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  8  0.2435  0.2437  0.5000  1.0
  Hg  Hg4  4  0.0000  0.0000  0.2563  1.0
]