data_[Hf6H6]
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 [Pmmn]
_cell_length_a [3.3404]
_cell_length_b [9.9355]
_cell_length_c [4.5657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [HfH]
_chemical_formula_sum '[Hf6 H6]'
_cell_volume [151.5304]
_cell_formula_units_Z [6]
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  0.1694  0.7324  1.0
  Hf  Hf1  2  0.0000  0.5000  0.7560  1.0
  H  H2  4  0.0000  0.3302  0.0055  1.0
  H  H3  2  0.0000  0.0000  0.4877  1.0
]