data_[Ba2Li2Hg6]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.8829]
_cell_length_b [7.0656]
_cell_length_c [6.6043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaLiHg3]
_chemical_formula_sum '[Ba2 Li2 Hg6]'
_cell_volume [287.2809]
_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  2  0.1084  0.0000  0.9115  1.0
  Li  Li1  2  0.4785  0.0000  0.6409  1.0
  Hg  Hg2  4  0.1261  0.2414  0.4328  1.0
  Hg  Hg3  2  0.1977  0.5000  0.0930  1.0
]