data_[Ni14H10]
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 [8.4194]
_cell_length_b [2.5485]
_cell_length_c [8.4771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni7H5]
_chemical_formula_sum '[Ni14 H10]'
_cell_volume [174.8370]
_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  0.0368  0.0000  0.7813  1.0
  Ni  Ni1  4  0.1525  0.5000  0.0645  1.0
  Ni  Ni2  4  0.2332  0.5000  0.3641  1.0
  Ni  Ni3  2  0.0000  0.5000  0.5000  1.0
  H  H4  4  0.1118  0.0000  0.4189  1.0
  H  H5  4  0.1842  0.5000  0.8609  1.0
  H  H6  2  0.0000  0.0000  0.0000  1.0
]