# generated using pymatgen
data_NiH16C4S4(N4Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21268178
_cell_length_b   8.21268178
_cell_length_c   8.21268178
_cell_angle_alpha   107.62749700
_cell_angle_beta   107.62749700
_cell_angle_gamma   113.22515400
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH16C4S4(N4Cl)2
_chemical_formula_sum   'Ni1 H16 C4 S4 N8 Cl2'
_cell_volume   425.03321209
_cell_formula_units_Z   1
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  1  0.00043200  0.00043200  0.00000000  1.0
  H  H1  1  0.54563500  0.88622800  0.35164400  1.0
  H  H2  1  0.53458400  0.19399100  0.64835600  1.0
  H  H3  1  0.88622800  0.53458400  0.34059300  1.0
  H  H4  1  0.19399100  0.54563500  0.65940700  1.0
  H  H5  1  0.39356500  0.62117300  0.21623600  1.0
  H  H6  1  0.40493700  0.17732900  0.78376400  1.0
  H  H7  1  0.62117300  0.40493700  0.22760800  1.0
  H  H8  1  0.17732900  0.39356500  0.77239200  1.0
  H  H9  1  0.03954300  0.45935800  0.01992100  1.0
  H  H10  1  0.43943800  0.01962200  0.98007900  1.0
  H  H11  1  0.45935800  0.43943800  0.41981500  1.0
  H  H12  1  0.01962200  0.03954300  0.58018500  1.0
  H  H13  1  0.94474300  0.61354100  0.99312600  1.0
  H  H14  1  0.62041500  0.95161700  0.00687400  1.0
  H  H15  1  0.61354100  0.62041500  0.66879900  1.0
  H  H16  1  0.95161700  0.94474300  0.33120100  1.0
  C  C17  1  0.24671600  0.76944600  0.17515200  1.0
  C  C18  1  0.59429400  0.07156400  0.82484800  1.0
  C  C19  1  0.76944600  0.59429400  0.52273000  1.0
  C  C20  1  0.07156400  0.24671600  0.47727000  1.0
  S  S21  1  0.28040700  0.00199800  0.22039200  1.0
  S  S22  1  0.78160600  0.06001500  0.77960800  1.0
  S  S23  1  0.00199800  0.78160600  0.72159100  1.0
  S  S24  1  0.06001500  0.28040700  0.27840900  1.0
  N  N25  1  0.40571800  0.75783100  0.26128000  1.0
  N  N26  1  0.49655100  0.14443800  0.73872000  1.0
  N  N27  1  0.75783100  0.49655100  0.35211200  1.0
  N  N28  1  0.14443800  0.40571800  0.64788800  1.0
  N  N29  1  0.06478700  0.60040900  0.05415600  1.0
  N  N30  1  0.54625300  0.01063100  0.94584400  1.0
  N  N31  1  0.60040900  0.54625300  0.53562200  1.0
  N  N32  1  0.01063100  0.06478700  0.46437800  1.0
  Cl  Cl33  1  0.73350000  0.73350000  0.00000000  1.0
  Cl  Cl34  1  0.28128100  0.28128100  0.00000000  1.0