data_[Tb8Sm8Sc24]
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 [C2/c]
_cell_length_a [14.5291]
_cell_length_b [12.5814]
_cell_length_c [6.2805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TbSmSc3]
_chemical_formula_sum '[Tb8 Sm8 Sc24]'
_cell_volume [1115.0557]
_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  4  0.0000  0.0795  0.7500  1.0
  Tb  Tb1  4  0.0000  0.1853  0.2500  1.0
  Sm  Sm2  8  0.1038  0.4234  0.4539  1.0
  Sc  Sc3  8  0.1065  0.3106  0.9475  1.0
  Sc  Sc4  8  0.2000  0.0791  0.1461  1.0
  Sc  Sc5  8  0.2036  0.1848  0.6551  1.0
]