# generated using pymatgen
data_FeNi2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87459804
_cell_length_b   10.86890830
_cell_length_c   10.86743711
_cell_angle_alpha   89.18750581
_cell_angle_beta   88.97423129
_cell_angle_gamma   63.73539503
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi2H8C14(NO)6
_chemical_formula_sum   'Fe2 Ni4 H16 C28 N12 O12'
_cell_volume   1151.65475344
_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  1  0.89983635  0.10181233  0.25234209  1
  Ni  Ni1  1  0.10016102  0.89819146  0.74765679  1
  Fe  Fe2  1  0.85751216  0.99475742  -0.00543206  1
  Ni  Ni3  1  0.01723030  0.13936987  0.50691129  1
  Fe  Fe4  1  0.14249049  0.00523734  1.00543217  1
  Ni  Ni5  1  0.98276576  0.86063561  0.49308919  1
  H  H6  1  0.53893048  0.16807609  0.41480301  1
  H  H7  1  0.83105026  0.46170055  0.08969941  1
  H  H8  1  0.46107335  0.83191350  0.58520027  1
  H  H9  1  0.16895409  0.53829992  0.91029741  1
  H  H10  1  0.33416416  0.15732601  0.51394448  1
  H  H11  1  0.84254140  0.66629335  0.99195005  1
  H  H12  1  0.66583329  0.84267176  0.48605647  1
  H  H13  1  0.15746705  0.33370695  0.00804728  1
  H  H14  1  0.42464985  0.07522181  0.06001818  1
  H  H15  1  0.92660801  0.57360373  0.44465385  1
  H  H16  1  0.57535199  0.92477273  0.93998405  1
  H  H17  1  0.07338342  0.42640061  0.55534602  1
  H  H18  1  0.88240753  0.21544210  0.04982083  1
  H  H19  1  0.79582620  0.12357230  0.45976816  1
  H  H20  1  0.11759172  0.78455757  0.95017583  1
  H  H21  1  0.20416995  0.87643279  0.54022883  1
  C  C22  1  0.62556082  0.11779110  0.17589512  1
  C  C23  1  0.88320058  0.37276197  0.32702163  1
  C  C24  1  0.37444154  0.88220194  0.82410769  1
  C  C25  1  0.11679530  0.62724303  0.67297636  1
  C  C26  1  0.49812405  0.11797083  0.23185394  1
  C  C27  1  0.88378116  0.50082112  0.27260803  1
  C  C28  1  0.50187809  0.88202188  0.76814830  1
  C  C29  1  0.11621504  0.49918356  0.72738982  1
  C  C30  1  0.46970367  0.14394959  0.35957150  1
  C  C31  1  0.85663026  0.52974089  0.14542893  1
  C  C32  1  0.53029880  0.85604251  0.64043072  1
  C  C33  1  0.14337125  0.47026187  0.85456791  1
  C  C34  1  0.35592297  0.13887730  0.41584520  1
  C  C35  1  0.86214029  0.64346409  0.08963028  1
  C  C36  1  0.64407721  0.86111900  0.58415638  1
  C  C37  1  0.13786529  0.35653721  0.91036770  1
  C  C38  1  0.26914834  0.10805550  0.34207236  1
  C  C39  1  0.89425617  0.72906082  0.16344196  1
  C  C40  1  0.73085005  0.89194453  0.65792876  1
  C  C41  1  0.10574985  0.27093913  0.83655756  1
  C  C42  1  0.29493175  0.08605510  0.21538554  1
  C  C43  1  0.91783336  0.70384184  0.28993196  1
  C  C44  1  0.70506675  0.91394429  0.78461579  1
  C  C45  1  0.08216516  0.29616078  0.71006795  1
  C  C46  1  0.40824554  0.09157480  0.15845587  1
  C  C47  1  0.91126407  0.59016231  0.34619776  1
  C  C48  1  0.59175553  0.90841983  0.84154598  1
  C  C49  1  0.08872963  0.40984179  0.65380182  1
  N  N50  1  0.15784714  0.08341342  0.36930006  1
  N  N51  1  0.91666686  0.84113255  0.13495361  1
  N  N52  1  0.84214756  0.91659098  0.63069873  1
  N  N53  1  0.08334470  0.15886392  0.86504652  1
  N  N54  1  0.11820906  0.04651313  0.26671747  1
  N  N55  1  0.95415121  0.88185668  0.23668062  1
  N  N56  1  0.88178690  0.95349145  0.73328258  1
  N  N57  1  0.04585623  0.11814116  0.76332063  1
  N  N58  1  0.19666631  0.05079075  0.17212290  1
  N  N59  1  0.95164711  0.80437044  0.33205283  1
  N  N60  1  0.80332957  0.94921387  0.82787485  1
  N  N61  1  0.04835346  0.19563003  0.66794897  1
  O  O62  1  0.93099778  0.11731749  0.06678573  1
  O  O63  1  0.89105135  0.07210334  0.43330501  1
  O  O64  1  0.06900206  0.88268191  0.93321173  1
  O  O65  1  0.10894534  0.92790196  0.56669411  1
  O  O66  1  0.69535115  0.15367397  0.24659427  1
  O  O67  1  0.84508888  0.30557690  0.25466876  1
  O  O68  1  0.30464864  0.84632319  0.75340788  1
  O  O69  1  0.15490839  0.69442745  0.74532787  1
  O  O70  1  0.65516176  0.08008123  0.06387560  1
  O  O71  1  0.92122728  0.34128958  0.43800602  1
  O  O72  1  0.34484352  0.91990825  0.93612864  1
  O  O73  1  0.07876689  0.65871474  0.56199259  1
