data_[Tb24Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [11.5970]
_cell_length_b [11.5970]
_cell_length_c [6.2946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Tb3Ru]
_chemical_formula_sum '[Tb24 Ru8]'
_cell_volume [846.5650]
_cell_formula_units_Z [8]
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  0.0578  0.8687  0.7253  1
  Tb  Tb1  8  0.0838  0.3650  0.4410  1
  Tb  Tb2  8  0.1565  0.2820  0.9464  1
  Ru  Ru3  8  0.0623  0.8001  0.2351  1
]