# generated using pymatgen
data_FeNi2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86701168
_cell_length_b   10.86159532
_cell_length_c   10.85204173
_cell_angle_alpha   89.23514241
_cell_angle_beta   89.03054520
_cell_angle_gamma   63.77419289
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi2H8C14(NO)6
_chemical_formula_sum   'Fe2 Ni4 H16 C28 N12 O12'
_cell_volume   1148.85425809
_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
  Fe  Fe0  1  0.90036100  0.09985872  0.25012030  1
  Fe  Fe1  1  0.09963894  0.90014258  0.74987709  1
  Ni  Ni2  1  0.85807822  0.98255454  -0.00622228  1
  Ni  Ni3  1  0.01741101  0.14209842  0.50619333  1
  Ni  Ni4  1  0.14192345  0.01744285  1.00622152  1
  Ni  Ni5  1  0.98258638  0.85790636  0.49380712  1
  H  H6  1  0.53650702  0.16747519  0.41362722  1
  H  H7  1  0.83132635  0.46395030  0.08746684  1
  H  H8  1  0.46349598  0.83251443  0.58637649  1
  H  H9  1  0.16867869  0.53605102  0.91252965  1
  H  H10  1  0.33169259  0.15535320  0.51132865  1
  H  H11  1  0.84271393  0.66878205  0.98952077  1
  H  H12  1  0.66830359  0.84464524  0.48867181  1
  H  H13  1  0.15729340  0.33121870  0.01047735  1
  H  H14  1  0.42439708  0.07397015  0.05668253  1
  H  H15  1  0.92961829  0.57558086  0.44284569  1
  H  H16  1  0.57560306  0.92602580  0.94331830  1
  H  H17  1  0.07037371  0.42442516  0.55715460  1
  H  H18  1  0.87731947  0.20629691  0.04007523  1
  H  H19  1  0.79399932  0.12262778  0.46016457  1
  H  H20  1  0.12268212  0.79370304  0.95992329  1
  H  H21  1  0.20599799  0.87737722  0.53983188  1
  C  C22  1  0.62460859  0.11678465  0.17427279  1
  C  C23  1  0.88391177  0.37578152  0.32617857  1
  C  C24  1  0.37539437  0.88320523  0.82573058  1
  C  C25  1  0.11608462  0.62422113  0.67381967  1
  C  C26  1  0.49697683  0.11674819  0.22959426  1
  C  C27  1  0.88403386  0.50329891  0.27075705  1
  C  C28  1  0.50302579  0.88324449  0.77040876  1
  C  C29  1  0.11596437  0.49670434  0.72924211  1
  C  C30  1  0.46794138  0.14271567  0.35771418  1
  C  C31  1  0.85677557  0.53240991  0.14303937  1
  C  C32  1  0.53205961  0.85727585  0.64228868  1
  C  C33  1  0.14322728  0.46759241  0.85695940  1
  C  C34  1  0.35394301  0.13751490  0.41326845  1
  C  C35  1  0.86159900  0.64641387  0.08734300  1
  C  C36  1  0.64605531  0.86248144  0.58673332  1
  C  C37  1  0.13840666  0.35358689  0.91265552  1
  C  C38  1  0.26715322  0.10730985  0.33862292  1
  C  C39  1  0.89278141  0.73311701  0.16141174  1
  C  C40  1  0.73284530  0.89268918  0.66137632  1
  C  C41  1  0.10722366  0.26688376  0.83858669  1
  C  C42  1  0.29385726  0.08425684  0.21168927  1
  C  C43  1  0.91742035  0.70610505  0.28792245  1
  C  C44  1  0.70614227  0.91574066  0.78831147  1
  C  C45  1  0.08257867  0.29389873  0.71207725  1
  C  C46  1  0.40765961  0.08999649  0.15540996  1
  C  C47  1  0.91208287  0.59233976  0.34439390  1
  C  C48  1  0.59234223  0.90999791  0.84459138  1
  C  C49  1  0.08791237  0.40766466  0.65560540  1
  N  N50  1  0.15276299  0.08849785  0.36487923  1
  N  N51  1  0.91115222  0.84763812  0.13486380  1
  N  N52  1  0.84723099  0.91150608  0.63512069  1
  N  N53  1  0.08885548  0.15236153  0.86513583  1
  N  N54  1  0.11581778  0.04824763  0.26176665  1
  N  N55  1  0.95273003  0.88447564  0.23722983  1
  N  N56  1  0.88417547  0.95175953  0.73823231  1
  N  N57  1  0.04727253  0.11552516  0.76277133  1
  N  N58  1  0.19335378  0.05344693  0.16687462  1
  N  N59  1  0.94886851  0.80656242  0.33224820  1
  N  N60  1  0.80664345  0.94655495  0.83312546  1
  N  N61  1  0.05112933  0.19344194  0.66775212  1
  O  O62  1  0.92874875  0.11043191  0.06397470  1
  O  O63  1  0.88993870  0.07104561  0.43613335  1
  O  O64  1  0.07125331  0.88956723  0.93602333  1
  O  O65  1  0.11005955  0.92895964  0.56386363  1
  O  O66  1  0.69445268  0.14996610  0.24819284  1
  O  O67  1  0.84994317  0.30601812  0.25273292  1
  O  O68  1  0.30554882  0.85002964  0.75180992  1
  O  O69  1  0.15005263  0.69398532  0.74726475  1
  O  O70  1  0.65395216  0.08325683  0.06191013  1
  O  O71  1  0.91805916  0.34649489  0.43818814  1
  O  O72  1  0.34605358  0.91672966  0.93809399  1
  O  O73  1  0.08193661  0.65351021  0.56181025  1
