data_[Tb16Tc2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tc  1.9000  1.3500  0.7417
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4885]
_cell_length_b [4.8536]
_cell_length_c [6.9348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8TcRu2]
_chemical_formula_sum '[Tb16 Tc2 Ru4]'
_cell_volume [560.2882]
_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  0.0294  0.0000  0.7938  1
  Tb  Tb1  4  0.0964  0.5000  0.4578  1
  Tb  Tb2  4  0.1686  0.5000  0.9642  1
  Tb  Tb3  4  0.2017  0.0000  0.3131  1
  Tc  Tc4  2  0.0000  0.5000  0.0000  1
  Ru  Ru5  4  0.1854  0.0000  0.6967  1
]