data_[Tb12Ni6Hg3Ru3]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8987]
_cell_length_b [4.8987]
_cell_length_c [24.2140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb4Ni2HgRu]
_chemical_formula_sum '[Tb12 Ni6 Hg3 Ru3]'
_cell_volume [503.2314]
_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  6  0.0000  0.0000  0.1303  1.0
  Tb  Tb1  6  0.0000  0.0000  0.3832  1.0
  Ni  Ni2  6  0.0000  0.0000  0.2473  1.0
  Hg  Hg3  3  0.0000  0.0000  0.0000  1.0
  Ru  Ru4  3  -0.0000  -0.0000  0.5000  1.0
]