data_[Tb16Ni2Hg4]
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 [C2/m]
_cell_length_a [17.7010]
_cell_length_b [5.1732]
_cell_length_c [6.7842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8NiHg2]
_chemical_formula_sum '[Tb16 Ni2 Hg4]'
_cell_volume [606.0313]
_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  0.0219  0.0000  0.7764  1.0
  Tb  Tb1  4  0.0884  0.5000  0.4404  1.0
  Tb  Tb2  4  0.1502  0.5000  0.9651  1.0
  Tb  Tb3  4  0.2030  0.0000  0.3111  1.0
  Ni  Ni4  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg5  4  0.1911  0.0000  0.7403  1.0
]