data_[Tb4Nd6Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Immm]
_cell_length_a [3.7856]
_cell_length_b [5.4780]
_cell_length_c [22.5381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb2(NdHg)3]
_chemical_formula_sum '[Tb4 Nd6 Hg6]'
_cell_volume [467.3834]
_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
[
  Tb  Tb0  4  0.0000  0.5000  0.2666  1.0
  Nd  Nd1  4  0.0000  0.0000  0.3779  1.0
  Nd  Nd2  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg3  4  0.0000  0.0000  0.1223  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
]