data_[Li12Tb4Hg8]
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 [C2/m]
_cell_length_a [14.9572]
_cell_length_b [4.1726]
_cell_length_c [9.6066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3TbHg2]
_chemical_formula_sum '[Li12 Tb4 Hg8]'
_cell_volume [498.2864]
_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
[
  Li  Li0  4  0.0649  0.0000  0.4128  1.0
  Li  Li1  4  0.0751  0.5000  0.6849  1.0
  Li  Li2  4  0.2394  0.5000  0.5865  1.0
  Tb  Tb3  4  0.1237  0.0000  0.9972  1.0
  Hg  Hg4  4  0.0756  0.5000  0.2185  1.0
  Hg  Hg5  4  0.2046  0.0000  0.7574  1.0
]