data_[Dy2Hf4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Hf  1.3000  1.5500  0.8500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1789]
_cell_length_b [5.6735]
_cell_length_c [9.6446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Dy(HfH4)2]
_chemical_formula_sum '[Dy2 Hf4 H16]'
_cell_volume [173.9427]
_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
[
  Dy  Dy0  2  0.0000  0.5000  0.5000  1
  Hf  Hf1  4  0.0000  0.5000  0.1715  1
  H  H2  8  0.0000  0.2341  0.3341  1
  H  H3  4  0.0000  0.0000  0.1773  1
  H  H4  4  0.0000  0.2847  0.0000  1
]