data_[Hf8Zn4H8]
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/c]
_cell_length_a [5.5476]
_cell_length_b [8.9865]
_cell_length_c [5.6632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2ZnH2]
_chemical_formula_sum '[Hf8 Zn4 H8]'
_cell_volume [253.0183]
_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  0.0000  0.2234  0.7500  1
  Hf  Hf1  4  0.0000  0.4181  0.2500  1
  Zn  Zn2  4  0.0000  0.1071  0.2500  1
  H  H3  8  0.1524  0.3967  0.9910  1
]