data_[Hf12Cd4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.9425]
_cell_length_b [5.9425]
_cell_length_c [10.7157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Hf3CdH]
_chemical_formula_sum '[Hf12 Cd4 H4]'
_cell_volume [378.4065]
_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
[
  Hf  Hf0  8  0.0000  0.2574  0.1310  1
  Hf  Hf1  4  0.0000  0.0000  0.3693  1
  Cd  Cd2  4  0.0000  0.5000  0.6173  1
  H  H3  2  0.0000  0.0000  0.0000  1
  H  H4  2  0.0000  0.5000  0.2500  1
]