data_[Tb4Hf4Sc8]
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/m]
_cell_length_a [15.3325]
_cell_length_b [3.2824]
_cell_length_c [8.2294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4484]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbHfSc2]
_chemical_formula_sum '[Tb4 Hf4 Sc8]'
_cell_volume [412.2980]
_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  0.1490  0.5000  0.9366  1.0
  Hf  Hf1  4  0.0901  0.5000  0.5591  1.0
  Sc  Sc2  4  0.0398  0.0000  0.2347  1.0
  Sc  Sc3  4  0.2354  0.5000  0.3313  1.0
]