# generated using pymatgen
data_FeCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87809139
_cell_length_b   10.87007405
_cell_length_c   10.86227088
_cell_angle_alpha   89.21653317
_cell_angle_beta   89.02205619
_cell_angle_gamma   63.74225721
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoNiH8C14(NO)6
_chemical_formula_sum   'Fe2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1151.68662494
_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  0.89863054  0.10203720  0.25248424  1
  Fe  Fe1  1  0.10136780  0.89796597  0.74751438  1
  Co  Co2  1  0.85901167  0.98438159  -0.00555588  1
  Ni  Ni3  1  0.01741334  0.14147536  0.50546992  1
  Co  Co4  1  0.14098905  0.01561723  1.00555717  1
  Ni  Ni5  1  0.98258259  0.85853167  0.49452837  1
  H  H6  1  0.53667129  0.16748180  0.41383322  1
  H  H7  1  0.83104696  0.46297790  0.08913868  1
  H  H8  1  0.46333202  0.83250768  0.58616973  1
  H  H9  1  0.16895740  0.53702293  0.91085781  1
  H  H10  1  0.33150803  0.15630192  0.51154441  1
  H  H11  1  0.84232368  0.66775313  0.99068469  1
  H  H12  1  0.66849052  0.84369613  0.48845701  1
  H  H13  1  0.15768455  0.33224619  0.00931272  1
  H  H14  1  0.42423715  0.07458234  0.05752566  1
  H  H15  1  0.92846000  0.57522080  0.44389257  1
  H  H16  1  0.57576283  0.92541451  0.94247676  1
  H  H17  1  0.07153134  0.42478495  0.55610744  1
  H  H18  1  0.87605193  0.20975637  0.03674992  1
  H  H19  1  0.79279992  0.12459030  0.46689753  1
  H  H20  1  0.12394887  0.79024451  0.96324797  1
  H  H21  1  0.20719785  0.87541482  0.53309942  1
  C  C22  1  0.62278524  0.11811912  0.17393440  1
  C  C23  1  0.88291717  0.37610266  0.32694568  1
  C  C24  1  0.37721749  0.88187283  0.82606855  1
  C  C25  1  0.11707812  0.62390089  0.67305284  1
  C  C26  1  0.49604478  0.11771200  0.23027101  1
  C  C27  1  0.88330580  0.50325860  0.27164004  1
  C  C28  1  0.50395676  0.88228154  0.76973082  1
  C  C29  1  0.11669095  0.49674449  0.72835855  1
  C  C30  1  0.46766015  0.14340394  0.35805503  1
  C  C31  1  0.85614085  0.53181677  0.14440424  1
  C  C32  1  0.53234205  0.85658813  0.64194668  1
  C  C33  1  0.14386147  0.46818508  0.85559281  1
  C  C34  1  0.35357932  0.13819141  0.41354420  1
  C  C35  1  0.86123189  0.64564408  0.08843740  1
  C  C36  1  0.64642104  0.86180501  0.58645798  1
  C  C37  1  0.13877358  0.35435661  0.91155996  1
  C  C38  1  0.26718110  0.10785661  0.33910323  1
  C  C39  1  0.89210200  0.73190102  0.16248462  1
  C  C40  1  0.73281695  0.89214324  0.66089950  1
  C  C41  1  0.10790408  0.26809898  0.83751342  1
  C  C42  1  0.29420143  0.08433441  0.21239472  1
  C  C43  1  0.91676502  0.70533315  0.28892463  1
  C  C44  1  0.70579759  0.91566346  0.78760826  1
  C  C45  1  0.08323354  0.29466902  0.71107413  1
  C  C46  1  0.40738406  0.09076879  0.15606818  1
  C  C47  1  0.91129584  0.59202794  0.34552457  1
  C  C48  1  0.59261566  0.90922657  0.84393422  1
  C  C49  1  0.08869913  0.40797560  0.65447452  1
  N  N50  1  0.15410355  0.08605145  0.36511414  1
  N  N51  1  0.91353435  0.84511122  0.13551390  1
  N  N52  1  0.84589099  0.91395385  0.63488544  1
  N  N53  1  0.08647688  0.15488435  0.86448496  1
  N  N54  1  0.12005595  0.04202236  0.26308806  1
  N  N55  1  0.95766799  0.88022808  0.23676637  1
  N  N56  1  0.87993791  0.95798392  0.73691046  1
  N  N57  1  0.04233895  0.11977042  0.76323386  1
  N  N58  1  0.19641896  0.04900235  0.16811851  1
  N  N59  1  0.95133948  0.80449359  0.33221686  1
  N  N60  1  0.80357817  0.95099960  0.83188201  1
  N  N61  1  0.04865967  0.19550785  0.66778341  1
  O  O62  1  0.92657337  0.11496606  0.06383121  1
  O  O63  1  0.88734446  0.07311322  0.43918374  1
  O  O64  1  0.07342625  0.88503475  0.93616607  1
  O  O65  1  0.11265358  0.92689033  0.56081563  1
  O  O66  1  0.69308510  0.15219522  0.24599879  1
  O  O67  1  0.84623880  0.30812401  0.25419768  1
  O  O68  1  0.30691630  0.84780065  0.75400306  1
  O  O69  1  0.15375667  0.69187952  0.74580012  1
  O  O70  1  0.65053523  0.08332833  0.06145636  1
  O  O71  1  0.92025157  0.34555427  0.43815476  1
  O  O72  1  0.34946965  0.91666100  0.93854762  1
  O  O73  1  0.07974426  0.65444918  0.56184348  1
