data_[Hf2Ti8H10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.6525]
_cell_length_b [6.6525]
_cell_length_c [4.3785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [HfTi4H5]
_chemical_formula_sum '[Hf2 Ti8 H10]'
_cell_volume [193.7718]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Ti  Ti1  8  0.0940  0.3027  0.5000  1.0
  H  H2  8  0.0990  0.3066  0.0000  1.0
  H  H3  2  0.0000  0.0000  0.5000  1.0
]