data_[Tb9Ni24Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0219]
_cell_length_b [5.0219]
_cell_length_c [24.7519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tb3Ni8Hg]
_chemical_formula_sum '[Tb9 Ni24 Hg3]'
_cell_volume [540.6034]
_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
[
  Tb  Tb0  3  0.0000  0.0000  0.3770  1.0
  Tb  Tb1  3  0.0000  0.0000  0.5055  1.0
  Tb  Tb2  3  0.0000  0.0000  0.9937  1.0
  Ni  Ni3  9  0.0038  0.5019  0.9383  1.0
  Ni  Ni4  9  0.1667  0.3333  0.7704  1.0
  Ni  Ni5  3  0.0000  0.0000  0.1876  1.0
  Ni  Ni6  3  0.0000  0.0000  0.6878  1.0
  Hg  Hg7  3  0.0000  0.0000  0.8723  1.0
]