data_[Ni5H10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [4.2564]
_cell_length_b [4.2564]
_cell_length_c [21.3929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [NiH2]
_chemical_formula_sum '[Ni5 H10]'
_cell_volume [335.6511]
_cell_formula_units_Z [5]
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
[
  Ni  Ni0  3  0.0000  0.6665  0.5202  1
  Ni  Ni1  2  0.3333  0.6667  0.6139  1
  H  H2  6  0.1013  0.3767  0.3616  1
  H  H3  3  0.0000  0.4748  0.6605  1
  H  H4  1  0.0000  0.0000  0.5606  1
]