# generated using pymatgen
data_CrFe2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.91463480
_cell_length_b   10.89858734
_cell_length_c   10.90473911
_cell_angle_alpha   89.03946147
_cell_angle_beta   88.90523594
_cell_angle_gamma   63.55946076
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe2H8C14(NO)6
_chemical_formula_sum   'Cr2 Fe4 H16 C28 N12 O12'
_cell_volume   1161.21476414
_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  0.90373075  0.09179230  0.24196382  1
  Fe  Fe1  1  0.09626741  0.90821381  0.75803496  1
  Fe  Fe2  1  0.85589395  0.98891108  -0.00451927  1
  Cr  Cr3  1  0.00819095  0.14357399  0.50621529  1
  Fe  Fe4  1  0.14410778  0.01108677  1.00451850  1
  Cr  Cr5  1  0.99180566  0.85642999  0.49378398  1
  H  H6  1  0.53542682  0.17224109  0.41289623  1
  H  H7  1  0.83005528  0.45493215  0.09339763  1
  H  H8  1  0.46457660  0.82774946  0.58710707  1
  H  H9  1  0.16994819  0.54506872  0.90660053  1
  H  H10  1  0.33272684  0.15896063  0.51248516  1
  H  H11  1  0.84110931  0.65822799  0.99286662  1
  H  H12  1  0.66727257  0.84103605  0.48751656  1
  H  H13  1  0.15889949  0.34176999  0.00713081  1
  H  H14  1  0.42487931  0.07636441  0.05946686  1
  H  H15  1  0.92092244  0.57233606  0.44661729  1
  H  H16  1  0.57512217  0.92363068  0.94053559  1
  H  H17  1  0.07906829  0.42767074  0.55338323  1
  H  H18  1  0.87930078  0.21627233  0.02959407  1
  H  H19  1  0.79393948  0.10299052  0.45837929  1
  H  H20  1  0.12070068  0.78372579  0.97040092  1
  H  H21  1  0.20605695  0.89701330  0.54161622  1
  C  C22  1  0.62329984  0.11737266  0.17567788  1
  C  C23  1  0.88350758  0.36866367  0.32951062  1
  C  C24  1  0.37670300  0.88261998  0.82432480  1
  C  C25  1  0.11648762  0.63134047  0.67048823  1
  C  C26  1  0.49555317  0.12054389  0.23108159  1
  C  C27  1  0.88117277  0.49625190  0.27521919  1
  C  C28  1  0.50444911  0.87944954  0.76892118  1
  C  C29  1  0.11882467  0.50375179  0.72478025  1
  C  C30  1  0.46684270  0.14739830  0.35814134  1
  C  C31  1  0.85464940  0.52403296  0.14771024  1
  C  C32  1  0.53315923  0.85259463  0.64186122  1
  C  C33  1  0.14535270  0.47596768  0.85228820  1
  C  C34  1  0.35422956  0.14091711  0.41463125  1
  C  C35  1  0.85983334  0.63672248  0.09045718  1
  C  C36  1  0.64577062  0.85907914  0.58537032  1
  C  C37  1  0.14017250  0.36327669  0.90954128  1
  C  C38  1  0.26998098  0.10760865  0.34111537  1
  C  C39  1  0.89112670  0.72299424  0.16335575  1
  C  C40  1  0.73001717  0.89239131  0.65888530  1
  C  C41  1  0.10887787  0.27700559  0.83664292  1
  C  C42  1  0.29684531  0.08280978  0.21521808  1
  C  C43  1  0.91212572  0.69937111  0.28990106  1
  C  C44  1  0.70315360  0.91718915  0.78478328  1
  C  C45  1  0.08787325  0.30063124  0.71009828  1
  C  C46  1  0.40755563  0.09246536  0.15757252  1
  C  C47  1  0.90624314  0.58728370  0.34831468  1
  C  C48  1  0.59244576  0.90752988  0.84242839  1
  C  C49  1  0.09375205  0.41272101  0.65168568  1
  N  N50  1  0.16043619  0.08065246  0.36848243  1
  N  N51  1  0.91239381  0.83576901  0.13435245  1
  N  N52  1  0.83955818  0.91935265  0.63151675  1
  N  N53  1  0.08761567  0.16422766  0.86564651  1
  N  N54  1  0.12560408  0.03553693  0.26774710  1
  N  N55  1  0.95291827  0.87441727  0.23481406  1
  N  N56  1  0.87439072  0.96446877  0.73225149  1
  N  N57  1  0.04708794  0.12558097  0.76518556  1
  N  N58  1  0.20305263  0.04043812  0.17362957  1
  N  N59  1  0.94247604  0.80105892  0.33153970  1
  N  N60  1  0.79694396  0.95956525  0.82636961  1
  N  N61  1  0.05752313  0.19894353  0.66845987  1
  O  O62  1  0.92894468  0.12059440  0.05441036  1
  O  O63  1  0.89032598  0.05824238  0.43393579  1
  O  O64  1  0.07105597  0.87940537  0.94558678  1
  O  O65  1  0.10967133  0.94176185  0.56606304  1
  O  O66  1  0.69660030  0.14711865  0.24729304  1
  O  O67  1  0.85073232  0.29691636  0.25973030  1
  O  O68  1  0.30340123  0.85287580  0.75270883  1
  O  O69  1  0.14926097  0.70309089  0.74027027  1
  O  O70  1  0.65212817  0.08134833  0.06369431  1
  O  O71  1  0.91992093  0.33786461  0.44259740  1
  O  O72  1  0.34787536  0.91864225  0.93630878  1
  O  O73  1  0.08007597  0.66213855  0.55740296  1
