# generated using pymatgen
data_FeH14C14(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.21105803
_cell_length_b   9.21113693
_cell_length_c   8.53273705
_cell_angle_alpha   86.42726634
_cell_angle_beta   86.42858998
_cell_angle_gamma   106.35725233
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH14C14(NO2)2
_chemical_formula_sum   'Fe2 H28 C28 N4 O8'
_cell_volume   690.88793055
_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  0.62698446  0.85065943  0.98073730  1
  Fe  Fe1  1  0.85066950  0.62699553  0.48073964  1
  H  H2  1  0.52321677  0.99276936  0.67634460  1
  H  H3  1  0.99276825  0.52322678  0.17634184  1
  H  H4  1  0.42601688  0.19559749  0.54981226  1
  H  H5  1  0.19558226  0.42601046  0.04981590  1
  H  H6  1  0.52193899  0.38517846  0.57975446  1
  H  H7  1  0.38516759  0.52193470  0.07974408  1
  H  H8  1  0.72200383  0.20045408  0.07237487  1
  H  H9  1  0.20046618  0.72199357  0.57237525  1
  H  H10  1  0.60725641  0.40050815  0.92660128  1
  H  H11  1  0.40051468  0.60724658  0.42659808  1
  H  H12  1  0.32498531  0.39580808  0.78355705  1
  H  H13  1  0.39581359  0.32498593  0.28354999  1
  H  H14  1  0.25977881  0.36316599  0.59608486  1
  H  H15  1  0.36315910  0.25977800  0.09608158  1
  H  H16  1  0.95329914  0.48538970  0.78629524  1
  H  H17  1  0.48539283  0.95329226  0.28628720  1
  H  H18  1  0.95500799  0.09339412  0.88380646  1
  H  H19  1  0.09340650  0.95500695  0.38381771  1
  H  H20  1  0.05077685  0.28308365  0.91336284  1
  H  H21  1  0.28310074  0.05077714  0.41335999  1
  H  H22  1  0.75582803  0.27711672  0.38995551  1
  H  H23  1  0.27709349  0.75583039  0.88995573  1
  H  H24  1  0.87054327  0.07746334  0.53648985  1
  H  H25  1  0.07745092  0.87055224  0.03649570  1
  H  H26  1  0.21717190  0.11540578  0.86783309  1
  H  H27  1  0.11541544  0.21716894  0.36784422  1
  H  H28  1  0.15219524  0.08252652  0.68027628  1
  H  H29  1  0.08252056  0.15219326  0.18029025  1
  C  C30  1  0.65645370  0.70583492  0.70669212  1
  C  C31  1  0.70583321  0.65645466  0.20669652  1
  C  C32  1  0.53103551  0.21814791  0.76027424  1
  C  C33  1  0.21814762  0.53103298  0.26027209  1
  C  C34  1  0.55793690  0.07650724  0.76111630  1
  C  C35  1  0.07650804  0.55793955  0.26111492  1
  C  C36  1  0.44781650  0.27856911  0.63867977  1
  C  C37  1  0.27856198  0.44781280  0.13867746  1
  C  C38  1  0.66189929  0.18536540  0.96662814  1
  C  C39  1  0.18537362  0.66189329  0.46662752  1
  C  C40  1  0.59855318  0.28702773  0.89118958  1
  C  C41  1  0.28703284  0.59854600  0.39118721  1
  C  C42  1  0.30002951  0.31024962  0.69697756  1
  C  C43  1  0.31024812  0.30002843  0.19697588  1
  C  C44  1  0.94604571  0.26000625  0.70273780  1
  C  C45  1  0.26000459  0.94604608  0.20273789  1
  C  C46  1  0.91886181  0.40153021  0.70158973  1
  C  C47  1  0.40152776  0.91885793  0.20158491  1
  C  C48  1  0.02913784  0.19989650  0.82470418  1
  C  C49  1  0.19990485  0.02913769  0.32470790  1
  C  C50  1  0.81563924  0.29238622  0.49588123  1
  C  C51  1  0.29237013  0.81564088  0.99588070  1
  C  C52  1  0.87900211  0.19094896  0.57169166  1
  C  C53  1  0.19093826  0.87900546  0.07169430  1
  C  C54  1  0.17701427  0.16818154  0.76677698  1
  C  C55  1  0.16818402  0.17701283  0.26678424  1
  C  C56  1  0.82128043  0.77269441  0.75413476  1
  C  C57  1  0.77269540  0.82128202  0.25413048  1
  N  N58  1  0.63745209  0.05572945  0.88808701  1
  N  N59  1  0.05573565  0.63745217  0.38808648  1
  N  N60  1  0.83965233  0.42207019  0.57429613  1
  N  N61  1  0.42205925  0.83964945  0.07429067  1
  O  O62  1  0.54980614  0.73477499  0.78899012  1
  O  O63  1  0.73478030  0.54981034  0.28899429  1
  O  O64  1  0.83829637  0.85211184  0.87116702  1
  O  O65  1  0.85212210  0.83830218  0.37115786  1
  O  O66  1  0.92783108  0.74334873  0.67205397  1
  O  O67  1  0.74334198  0.92782859  0.17204873  1
  O  O68  1  0.63951283  0.62665990  0.58944368  1
  O  O69  1  0.62664531  0.63950990  0.08945501  1
