data_[Gd2Hf6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Hf  1.3000  1.5500  0.8500
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.2615]
_cell_length_b [10.3849]
_cell_length_c [5.7184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [GdHf3]
_chemical_formula_sum '[Gd2 Hf6]'
_cell_volume [193.6812]
_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
[
  Gd  Gd0  2  0.0000  0.0000  0.9998  1
  Hf  Hf1  4  0.0000  0.2450  0.6692  1
  Hf  Hf2  2  0.0000  0.5000  0.9951  1
]