data_[Tb12Nd4Hg8]
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 [C2/m]
_cell_length_a [16.1847]
_cell_length_b [5.3772]
_cell_length_c [8.9693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3NdHg2]
_chemical_formula_sum '[Tb12 Nd4 Hg8]'
_cell_volume [705.8142]
_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
[
  Tb  Tb0  4  0.0631  0.0000  0.7252  1.0
  Tb  Tb1  4  0.1195  0.5000  0.5284  1.0
  Tb  Tb2  4  0.1937  0.5000  0.0019  1.0
  Nd  Nd3  4  0.1326  0.0000  0.1893  1.0
  Hg  Hg4  4  0.0110  0.5000  0.1694  1.0
  Hg  Hg5  4  0.2251  0.0000  0.6062  1.0
]