data_[Tb14Hg2Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6825]
_cell_length_b [5.5107]
_cell_length_c [9.6724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.7277]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb7HgRu4]
_chemical_formula_sum '[Tb14 Hg2 Ru8]'
_cell_volume [584.5174]
_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  0.0757  0.0000  0.3708  1
  Tb  Tb1  4  0.1790  0.5000  0.6306  1
  Tb  Tb2  4  0.2130  0.0000  0.8773  1
  Tb  Tb3  2  0.0000  0.5000  0.0000  1
  Hg  Hg4  2  0.0000  0.0000  0.0000  1
  Ru  Ru5  4  0.0652  0.5000  0.7762  1
  Ru  Ru6  4  0.2006  0.5000  0.3495  1
]