data_[Hf8H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.2806]
_cell_length_b [5.2960]
_cell_length_c [6.9827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [HfH]
_chemical_formula_sum '[Hf8 H8]'
_cell_volume [195.2777]
_cell_formula_units_Z [8]
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  0.2424  0.5019  0.2521  1.0
  Hf  Hf1  4  0.2485  0.0098  0.5021  1.0
  H  H2  4  0.1103  0.8630  0.7504  1.0
  H  H3  4  0.1173  0.3554  0.0032  1.0
]