data_[Tb9Sc3Ru24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.2972]
_cell_length_b [5.2972]
_cell_length_c [26.1429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tb3ScRu8]
_chemical_formula_sum '[Tb9 Sc3 Ru24]'
_cell_volume [635.3025]
_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  3  0.0000  0.0000  0.3746  1
  Tb  Tb1  3  0.0000  0.0000  0.5004  1
  Tb  Tb2  3  0.0000  0.0000  0.9987  1
  Sc  Sc3  3  0.0000  0.0000  0.8749  1
  Ru  Ru4  9  0.0018  0.5009  0.4390  1
  Ru  Ru5  9  0.1689  0.3377  0.2692  1
  Ru  Ru6  3  0.0000  0.0000  0.1886  1
  Ru  Ru7  3  0.0000  0.0000  0.6882  1
]