data_[Tb4Hf4Sc16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2845]
_cell_length_b [13.2617]
_cell_length_c [5.9732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TbHfSc4]
_chemical_formula_sum '[Tb4 Hf4 Sc16]'
_cell_volume [618.0505]
_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  4  0.0000  0.4135  0.2500  1
  Hf  Hf1  4  0.0000  0.0026  0.7500  1
  Sc  Sc2  8  0.0940  0.1894  0.5350  1
  Sc  Sc3  8  0.2141  0.3723  0.8747  1
]