data_[Tb8Sm8Sc12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [9.3763]
_cell_length_b [9.3763]
_cell_length_c [9.3763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [199]
_chemical_formula_structural [Tb2Sm2Sc3]
_chemical_formula_sum '[Tb8 Sm8 Sc12]'
_cell_volume [824.3105]
_cell_formula_units_Z [4]
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  0.2150  0.2150  0.2150  1
  Sm  Sm1  8  0.0863  0.4137  0.5863  1
  Sc  Sc2  12  0.0000  0.2500  0.9579  1
]