# generated using pymatgen
data_FeH10C14(N3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41274687
_cell_length_b   9.52810823
_cell_length_c   9.53200699
_cell_angle_alpha   81.79595201
_cell_angle_beta   75.37869156
_cell_angle_gamma   75.77819161
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH10C14(N3O2)2
_chemical_formula_sum   'Fe2 H20 C28 N12 O8'
_cell_volume   798.87514173
_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  0.74052169  0.94817164  0.71570168  1
  Fe  Fe1  1  0.24045266  0.71274924  0.94621372  1
  H  H2  1  0.38939452  0.01302533  0.61014734  1
  H  H3  1  0.89023457  0.61112837  0.02408131  1
  H  H4  1  0.59753059  0.49307873  0.77822664  1
  H  H5  1  0.10446921  0.77195845  0.48875359  1
  H  H6  1  0.87241155  0.87656761  0.17387533  1
  H  H7  1  0.36842267  0.17502334  0.88143794  1
  H  H8  1  0.07758384  0.30963135  0.24843860  1
  H  H9  1  0.57927364  0.24482564  0.29708004  1
  H  H10  1  0.58888702  0.92433043  0.08179531  1
  H  H11  1  0.08345182  0.08637387  0.92424962  1
  H  H12  1  0.96036066  0.11349821  0.40808869  1
  H  H13  1  0.46594362  0.40878941  0.10292098  1
  H  H14  1  0.78879461  0.63239696  0.53528887  1
  H  H15  1  0.29560129  0.52896096  0.62458863  1
  H  H16  1  0.21149956  0.03010110  0.44929003  1
  H  H17  1  0.71003324  0.45490527  0.03178675  1
  H  H18  1  0.30995496  0.98455688  0.18647581  1
  H  H19  1  0.80503430  0.19257678  0.98259683  1
  H  H20  1  0.98659266  0.56754240  0.30777480  1
  H  H21  1  0.49124743  0.30157649  0.55608626  1
  C  C22  1  0.42986591  0.99373692  0.49568525  1
  C  C23  1  0.92948300  0.49749500  0.00225615  1
  C  C24  1  0.44364619  0.90232702  0.86645748  1
  C  C25  1  0.94353321  0.86892204  0.90246552  1
  C  C26  1  0.54725337  0.74947491  0.83395288  1
  C  C27  1  0.04358104  0.82429052  0.75086704  1
  C  C28  1  0.98931010  0.33663368  0.34590985  1
  C  C29  1  0.49289595  0.34272159  0.32564501  1
  C  C30  1  0.54273972  0.94281001  0.19593856  1
  C  C31  1  0.03836270  0.19993350  0.94458891  1
  C  C32  1  0.82062162  0.26476830  0.56149308  1
  C  C33  1  0.32766984  0.56046136  0.25642094  1
  C  C34  1  0.92908074  0.22610779  0.43470821  1
  C  C35  1  0.43437925  0.43383525  0.21609130  1
  C  C36  1  0.82873162  0.52110923  0.50561867  1
  C  C37  1  0.33531200  0.50050573  0.51266003  1
  C  C38  1  0.77157818  0.40954050  0.59534365  1
  C  C39  1  0.27899832  0.59173400  0.40217603  1
  C  C40  1  0.63912341  0.93160734  0.28872915  1
  C  C41  1  0.13617449  0.29073344  0.93755079  1
  C  C42  1  0.33263877  0.00348158  0.40445419  1
  C  C43  1  0.83076776  0.40860591  0.00674101  1
  C  C44  1  0.38794466  0.97837834  0.25589618  1
  C  C45  1  0.88391435  0.26084304  0.97906851  1
  C  C46  1  0.93881305  0.48259685  0.37996530  1
  C  C47  1  0.44375989  0.37491351  0.47228592  1
  C  C48  1  0.58476840  0.95737164  0.43553929  1
  C  C49  1  0.08389782  0.43607269  0.96812459  1
  N  N50  1  0.83317734  0.91529270  0.39113446  1
  N  N51  1  0.33228836  0.38954413  0.92625281  1
  N  N52  1  0.64668679  0.26904912  0.76674629  1
  N  N53  1  0.15465889  0.76545525  0.26458567  1
  N  N54  1  0.71011721  0.94467103  0.49299177  1
  N  N55  1  0.21012677  0.49097164  0.96031922  1
  N  N56  1  0.66487325  0.40408486  0.72308242  1
  N  N57  1  0.17429813  0.72042197  0.39892636  1
  N  N58  1  0.73941494  0.18355587  0.67128717  1
  N  N59  1  0.24848614  0.67261076  0.17685536  1
  N  N60  1  0.79270898  0.90429844  0.26959640  1
  N  N61  1  0.28983316  0.26954729  0.91275401  1
  O  O62  1  0.48605939  0.64070150  0.87357180  1
  O  O63  1  0.98287594  0.86322256  0.64234251  1
  O  O64  1  0.50281672  0.01168869  0.82209895  1
  O  O65  1  1.00131096  0.82303891  0.01193585  1
  O  O66  1  0.30856280  0.90839794  0.93322088  1
  O  O67  1  0.81283525  0.94574085  0.90719123  1
  O  O68  1  0.68267794  0.74384906  0.76908609  1
  O  O69  1  0.17629149  0.75243511  0.74585019  1
