# generated using pymatgen
data_NiH16C26(N4O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05029061
_cell_length_b   7.31797911
_cell_length_c   13.72054719
_cell_angle_alpha   78.74737543
_cell_angle_beta   84.18103255
_cell_angle_gamma   68.46204165
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH16C26(N4O)2
_chemical_formula_sum   'Ni1 H16 C26 N8 O2'
_cell_volume   645.46551219
_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  0.00000384  1.00000004  0.99999905  1
  H  H1  1  0.80571733  0.40448292  0.98996847  1
  H  H2  1  0.19430466  0.59551449  0.01003350  1
  H  H3  1  0.88650127  0.78666553  0.66648752  1
  H  H4  1  0.11349973  0.21332117  0.33351175  1
  H  H5  1  0.84112308  0.68938381  0.51107876  1
  H  H6  1  0.15887109  0.31061581  0.48891932  1
  H  H7  1  0.18886943  0.88857597  0.56969462  1
  H  H8  1  0.81112594  0.11143136  0.43030787  1
  H  H9  1  0.23255009  0.98976174  0.72401818  1
  H  H10  1  0.76745266  0.01024095  0.27598478  1
  H  H11  1  0.93938111  0.53726969  0.83721518  1
  H  H12  1  0.06063335  0.46271402  0.16278326  1
  H  H13  1  0.72162303  0.47812898  0.81860169  1
  H  H14  1  0.27837318  0.52188082  0.18140225  1
  H  H15  1  0.97385503  0.30680496  0.79949099  1
  H  H16  1  0.02612874  0.69318536  0.20050736  1
  C  C17  1  0.56314602  0.88933085  0.71016450  1
  C  C18  1  0.43685506  0.11066736  0.28983590  1
  C  C19  1  0.73326919  0.80851987  0.64619417  1
  C  C20  1  0.26672929  0.19147958  0.35380399  1
  C  C21  1  0.70883043  0.75078299  0.55966226  1
  C  C22  1  0.29116443  0.24921836  0.44033618  1
  C  C23  1  0.51192318  0.77404607  0.53091510  1
  C  C24  1  0.48806897  0.22596168  0.46908390  1
  C  C25  1  0.34165022  0.86358881  0.59233281  1
  C  C26  1  0.65834622  0.13641684  0.40766761  1
  C  C27  1  0.36671819  0.91824893  0.67943371  1
  C  C28  1  0.63328159  0.08174718  0.32056943  1
  C  C29  1  0.58077096  0.94202121  0.80344700  1
  C  C30  1  0.41923766  0.05797814  0.19655188  1
  C  C31  1  0.76162436  0.94426304  0.83719671  1
  C  C32  1  0.23838563  0.05573184  0.16280298  1
  C  C33  1  0.41408309  0.97104968  0.87224985  1
  C  C34  1  0.58592508  0.02894149  0.12775238  1
  C  C35  1  0.48259890  0.71152839  0.44285178  1
  C  C36  1  0.51738920  0.28848349  0.55714820  1
  C  C37  1  0.64570965  0.61759966  0.38069712  1
  C  C38  1  0.35428520  0.38240334  0.61930317  1
  C  C39  1  0.28576249  0.74050631  0.41559609  1
  C  C40  1  0.71422194  0.25950869  0.58440369  1
  C  C41  1  0.87855431  0.41709612  0.84434427  1
  C  C42  1  0.12144527  0.58289813  0.15565559  1
  N  N43  1  0.90564588  0.94634930  0.87320161  1
  N  N44  1  0.09436225  0.05364577  0.12679894  1
  N  N45  1  0.27105303  0.98836882  0.92657654  1
  N  N46  1  0.72895187  0.01162747  0.07342346  1
  N  N47  1  0.78060877  0.53872340  0.32849781  1
  N  N48  1  0.21938346  0.46129026  0.67150101  1
  N  N49  1  0.12200089  0.76299614  0.39280009  1
  N  N50  1  0.87798884  0.23701386  0.60719552  1
  O  O51  1  0.88810177  0.31429034  0.94575540  1
  O  O52  1  0.11190111  0.68570330  0.05424438  1
