data_[Li4Tb2Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7720]
_cell_length_b [7.7649]
_cell_length_c [13.7087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li2TbHg8]
_chemical_formula_sum '[Li4 Tb2 Hg16]'
_cell_volume [507.9602]
_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
[
  Li  Li0  4  0.0000  0.5000  0.2061  1
  Tb  Tb1  2  0.0000  0.5000  0.5000  1
  Hg  Hg2  8  0.0000  0.2024  0.3488  1
  Hg  Hg3  4  0.0000  0.0000  0.1589  1
  Hg  Hg4  4  0.0000  0.3087  0.0000  1
]