data_[Tb24Sc3In18]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.9704]
_cell_length_b [8.9704]
_cell_length_c [19.4709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb8ScIn6]
_chemical_formula_sum '[Tb24 Sc3 In18]'
_cell_volume [1356.8619]
_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  18  0.0014  0.6637  0.8864  1
  Tb  Tb1  6  0.0000  0.0000  0.3349  1
  Sc  Sc2  3  0.0000  0.0000  0.0000  1
  In  In3  18  0.0002  0.3231  0.9431  1
]