# generated using pymatgen
data_FeNi2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87435077
_cell_length_b   10.86895636
_cell_length_c   10.86740897
_cell_angle_alpha   89.17959051
_cell_angle_beta   88.98735821
_cell_angle_gamma   63.73564948
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi2H8C14(NO)6
_chemical_formula_sum   'Fe2 Ni4 H16 C28 N12 O12'
_cell_volume   1151.63570661
_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  0.89853245  0.10036342  0.24808533  1
  Ni  Ni1  1  0.10146693  0.89963907  0.75191322  1
  Ni  Ni2  1  0.86057061  0.98300165  -0.00669789  1
  Fe  Fe3  1  0.00570362  0.14264050  0.50532988  1
  Ni  Ni4  1  0.13942969  0.01699817  1.00669795  1
  Fe  Fe5  1  0.99429260  0.85736553  0.49467016  1
  H  H6  1  0.53859214  0.16777270  0.41128069  1
  H  H7  1  0.83075962  0.46140976  0.08637128  1
  H  H8  1  0.46141132  0.83221686  0.58872294  1
  H  H9  1  0.16924493  0.53859014  0.91362554  1
  H  H10  1  0.33379306  0.15561677  0.50864905  1
  H  H11  1  0.84085370  0.66607723  0.98695465  1
  H  H12  1  0.66620650  0.84438145  0.49135241  1
  H  H13  1  0.15915432  0.33392130  0.01304228  1
  H  H14  1  0.42671539  0.07658171  0.05478951  1
  H  H15  1  0.92824924  0.57520781  0.43957549  1
  H  H16  1  0.57328399  0.92341367  0.94521289  1
  H  H17  1  0.07174261  0.42479759  0.56042499  1
  H  H18  1  0.87661007  0.20435033  0.04088652  1
  H  H19  1  0.78488997  0.11751032  0.45076145  1
  H  H20  1  0.12338905  0.79565054  0.95910952  1
  H  H21  1  0.21510770  0.88249319  0.54923549  1
  C  C22  1  0.62751318  0.11758857  0.17354298  1
  C  C23  1  0.88300149  0.37480486  0.32471031  1
  C  C24  1  0.37248873  0.88240502  0.82646102  1
  C  C25  1  0.11699468  0.62519987  0.67528830  1
  C  C26  1  0.49933694  0.11693702  0.22767196  1
  C  C27  1  0.88270429  0.50215640  0.26859158  1
  C  C28  1  0.50066495  0.88305603  0.77233084  1
  C  C29  1  0.11729312  0.49784717  0.73140670  1
  C  C30  1  0.47050383  0.14283725  0.35517631  1
  C  C31  1  0.85546279  0.53066488  0.14121955  1
  C  C32  1  0.52949794  0.85715523  0.64482680  1
  C  C33  1  0.14453932  0.46933598  0.85877794  1
  C  C34  1  0.35677162  0.13692492  0.41075345  1
  C  C35  1  0.86018359  0.64442929  0.08480305  1
  C  C36  1  0.64322814  0.86307147  0.58924848  1
  C  C37  1  0.13982161  0.35557019  0.91519485  1
  C  C38  1  0.27123506  0.10571212  0.33629817  1
  C  C39  1  0.89204521  0.73104905  0.15797667  1
  C  C40  1  0.72876264  0.89428746  0.66370298  1
  C  C41  1  0.10796009  0.26894988  0.84202212  1
  C  C42  1  0.29605913  0.08380952  0.20938044  1
  C  C43  1  0.91589182  0.70486328  0.28427082  1
  C  C44  1  0.70394046  0.91618856  0.79062087  1
  C  C45  1  0.08410835  0.29513812  0.71572861  1
  C  C46  1  0.40984301  0.09069577  0.15343212  1
  C  C47  1  0.91055171  0.59167168  0.34141342  1
  C  C48  1  0.59015746  0.90929965  0.84657006  1
  C  C49  1  0.08944353  0.40833225  0.65858623  1
  N  N50  1  0.15950018  0.08266501  0.36463367  1
  N  N51  1  0.91623881  0.84242382  0.13024469  1
  N  N52  1  0.84049372  0.91734027  0.63536470  1
  N  N53  1  0.08376945  0.15757365  0.86975372  1
  N  N54  1  0.11834408  0.04673956  0.26235440  1
  N  N55  1  0.95459877  0.88198115  0.23226988  1
  N  N56  1  0.88165289  0.95326424  0.73764290  1
  N  N57  1  0.04540458  0.11801894  0.76772891  1
  N  N58  1  0.19526725  0.05070894  0.16688575  1
  N  N59  1  0.95240550  0.80280318  0.32657194  1
  N  N60  1  0.80473291  0.94929216  0.83311355  1
  N  N61  1  0.04759462  0.19719839  0.67342813  1
  O  O62  1  0.92789834  0.10913719  0.06705759  1
  O  O63  1  0.88303831  0.06883985  0.43356654  1
  O  O64  1  0.07210138  0.89086466  0.93294034  1
  O  O65  1  0.11696031  0.93116433  0.56643294  1
  O  O66  1  0.69484079  0.15474949  0.24649481  1
  O  O67  1  0.84630011  0.30506334  0.25459082  1
  O  O68  1  0.30515969  0.84524714  0.75350764  1
  O  O69  1  0.15369694  0.69494019  0.74540781  1
  O  O70  1  0.65891509  0.08043324  0.06207734  1
  O  O71  1  0.92164275  0.34513322  0.43626156  1
  O  O72  1  0.34108787  0.91955806  0.93792746  1
  O  O73  1  0.07835192  0.65487157  0.56373739  1
