data_[Ni10H12]
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 [C2/m]
_cell_length_a [4.4814]
_cell_length_b [7.7454]
_cell_length_c [4.4641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni5H6]
_chemical_formula_sum '[Ni10 H12]'
_cell_volume [145.6520]
_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
[
  Ni  Ni0  4  0.0000  0.1667  0.5000  1.0
  Ni  Ni1  4  0.0000  0.3336  0.0000  1.0
  Ni  Ni2  2  0.0000  0.5000  0.5000  1.0
  H  H3  8  0.2447  0.3254  0.7545  1.0
  H  H4  4  0.2461  0.5000  0.2646  1.0
]