data_[Hf4Cd4H4]
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 [C2/m]
_cell_length_a [12.0554]
_cell_length_b [3.2357]
_cell_length_c [4.7116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfCdH]
_chemical_formula_sum '[Hf4 Cd4 H4]'
_cell_volume [183.7623]
_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  4  0.1790  0.0000  0.2469  1.0
  Cd  Cd1  4  0.0630  0.5000  0.7528  1.0
  H  H2  4  0.2413  0.0000  0.6386  1.0
]