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 [I-42m]
_cell_length_a [11.6850]
_cell_length_b [11.6850]
_cell_length_c [6.1575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Tb3Ru]
_chemical_formula_sum '[Tb24 Ru8]'
_cell_volume [840.7379]
_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  0.0000  0.3579  0.0000  1.0
  Tb  Tb1  8  0.0960  0.0960  0.7387  1.0
  Tb  Tb2  8  0.2027  0.2027  0.2967  1.0
  Ru  Ru3  8  0.0000  0.2888  0.5000  1.0
]