data_[Ni2H12N4Cl4]
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
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.1807]
_cell_length_b [8.5403]
_cell_length_c [3.7721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NiH6(NCl)2]
_chemical_formula_sum '[Ni2 H12 N4 Cl4]'
_cell_volume [263.2352]
_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  2  0.0000  0.9955  0.0000  1.0
  H  H1  4  0.1970  0.5914  0.8921  1.0
  H  H2  4  0.2013  0.4544  0.2008  1.0
  H  H3  4  0.2131  0.4037  0.7868  1.0
  N  N4  4  0.2494  0.9874  0.0317  1.0
  Cl  Cl5  2  0.0000  0.1898  0.5000  1.0
  Cl  Cl6  2  0.0000  0.8029  0.5000  1.0
]