data_[Tb2Hf2Sc6]
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 [Pmma]
_cell_length_a [5.1803]
_cell_length_b [3.2516]
_cell_length_c [14.8214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [TbHfSc3]
_chemical_formula_sum '[Tb2 Hf2 Sc6]'
_cell_volume [249.6601]
_cell_formula_units_Z [2]
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  2  0.2500  0.5000  0.3544  1.0
  Hf  Hf1  2  0.2500  0.0000  0.1423  1.0
  Sc  Sc2  2  0.2500  0.0000  0.5621  1.0
  Sc  Sc3  2  0.2500  0.5000  0.7619  1.0
  Sc  Sc4  2  0.2500  0.5000  0.9532  1.0
]