data_[Hf8Zn4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zn  1.6500  1.3500  0.8800
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0693]
_cell_length_b [3.2087]
_cell_length_c [7.9756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2ZnH3]
_chemical_formula_sum '[Hf8 Zn4 H12]'
_cell_volume [264.2340]
_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  0.0169  0.5000  0.2016  1.0
  Hf  Hf1  4  0.1638  0.0000  0.6094  1.0
  Zn  Zn2  4  0.1763  0.0000  0.0619  1.0
  H  H3  4  0.0122  0.0000  0.3575  1.0
  H  H4  4  0.1414  0.5000  0.7363  1.0
  H  H5  4  0.1696  0.5000  0.4479  1.0
]