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 [Cmmm]
_cell_length_a [6.6683]
_cell_length_b [6.6737]
_cell_length_c [8.2164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Hf3CdH]
_chemical_formula_sum '[Hf12 Cd4 H4]'
_cell_volume [365.6481]
_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  0.2445  0.2429  1.0
  Hf  Hf1  4  0.2304  0.0000  0.5000  1.0
  Cd  Cd2  4  0.2475  0.5000  0.0000  1.0
  H  H3  4  0.0000  0.5000  0.3661  1.0
]