data_[Hf10Ni4H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4532]
_cell_length_b [5.4561]
_cell_length_c [6.4494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6277]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf5(NiH6)2]
_chemical_formula_sum '[Hf10 Ni4 H24]'
_cell_volume [326.9358]
_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  4  0.1550  0.5000  0.3655  1
  Hf  Hf1  4  0.2274  0.5000  0.8417  1
  Hf  Hf2  2  0.0000  0.0000  0.5000  1
  Ni  Ni3  4  0.0000  0.2313  0.0000  1
  H  H4  8  0.1697  0.2413  0.6036  1
  H  H5  8  0.1739  0.3149  0.0920  1
  H  H6  4  0.0220  0.5000  0.8466  1
  H  H7  4  0.0355  0.0000  0.1723  1
]