data_[Li3Tb3Nd6Hg12]
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
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2530]
_cell_length_b [5.2530]
_cell_length_c [26.0947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiTb(NdHg2)2]
_chemical_formula_sum '[Li3 Tb3 Nd6 Hg12]'
_cell_volume [623.5823]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1
  Tb  Tb1  3  0.0000  0.0000  0.0000  1
  Nd  Nd2  6  0.0000  0.0000  0.2453  1
  Hg  Hg3  6  0.0000  0.0000  0.1252  1
  Hg  Hg4  6  0.0000  0.0000  0.3744  1
]