data_[Ti2Ni4H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0622]
_cell_length_b [5.1501]
_cell_length_c [5.1891]
_cell_angle_alpha [92.6998]
_cell_angle_beta [118.1576]
_cell_angle_gamma [118.4474]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ti(NiH2)2]
_chemical_formula_sum '[Ti2 Ni4 H8]'
_cell_volume [98.2101]
_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
[
  Ti  Ti0  1  0.4884  0.7373  0.2076  1
  Ti  Ti1  1  0.9858  0.9893  0.9642  1
  Ni  Ni2  1  0.2206  0.8598  0.5765  1
  Ni  Ni3  1  0.2229  0.3566  0.6141  1
  Ni  Ni4  1  0.7024  0.3670  0.5731  1
  Ni  Ni5  1  0.7317  0.3425  0.0877  1
  H  H6  1  0.1456  0.5799  0.7584  1
  H  H7  1  0.1883  0.5673  0.3748  1
  H  H8  1  0.3347  0.9780  0.3151  1
  H  H9  1  0.4567  0.3579  0.1995  1
  H  H10  1  0.6330  0.5997  0.9580  1
  H  H11  1  0.6676  0.1430  0.7920  1
  H  H12  1  0.8469  0.7657  0.5803  1
  H  H13  1  0.8753  0.1060  0.2485  1
]