data_[Tb16Hg2Ru4]
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 [8.7290]
_cell_length_b [13.0637]
_cell_length_c [5.5248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8HgRu2]
_chemical_formula_sum '[Tb16 Hg2 Ru4]'
_cell_volume [611.7150]
_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  8  0.1979  0.1314  0.0818  1.0
  Tb  Tb1  4  0.0000  0.2457  0.5000  1.0
  Tb  Tb2  4  0.1182  0.5000  0.3016  1.0
  Hg  Hg3  2  0.0000  0.0000  0.5000  1.0
  Ru  Ru4  4  0.0000  0.3108  0.0000  1.0
]