data_[Tb2Y2Hf2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0564]
_cell_length_b [5.3294]
_cell_length_c [6.0755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbYHf]
_chemical_formula_sum '[Tb2 Y2 Hf2]'
_cell_volume [170.3036]
_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  0.1808  0.2500  0.1640  1
  Y  Y1  2  0.1849  0.7500  0.5121  1
  Hf  Hf2  2  0.4953  0.7500  0.1347  1
]