data_[Ba8Li2Hg2]
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 [P2_1/c]
_cell_length_a [8.6347]
_cell_length_b [8.5528]
_cell_length_c [8.6310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4909]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba4LiHg]
_chemical_formula_sum '[Ba8 Li2 Hg2]'
_cell_volume [636.2263]
_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  0.1622  0.6540  0.8570  1
  Ba  Ba1  4  0.3465  0.1638  0.8239  1
  Li  Li2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  2  0.5000  0.0000  0.5000  1
]