# generated using pymatgen
data_MnFe2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.93886705
_cell_length_b   10.93846545
_cell_length_c   10.93812511
_cell_angle_alpha   89.10847159
_cell_angle_beta   88.89546801
_cell_angle_gamma   63.46238486
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFe2H8C14(NO)6
_chemical_formula_sum   'Mn2 Fe4 H16 C28 N12 O12'
_cell_volume   1170.64911056
_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  0.90158884  0.09719659  0.24967886  1
  Fe  Fe1  1  0.09840812  0.90280695  0.75031943  1
  Fe  Fe2  1  0.85461659  0.99639890  -0.00824236  1
  Mn  Mn3  1  -0.00116454  0.15022686  0.50726147  1
  Fe  Fe4  1  0.14538449  0.00359954  1.00824169  1
  Mn  Mn5  1  1.00116170  0.84977837  0.49273931  1
  H  H6  1  0.53849179  0.17263263  0.40782949  1
  H  H7  1  0.82548003  0.46032218  0.08853827  1
  H  H8  1  0.46151134  0.82735774  0.59217435  1
  H  H9  1  0.17452378  0.53967844  0.91145856  1
  H  H10  1  0.33758698  0.15797110  0.50860627  1
  H  H11  1  0.83625678  0.66175120  0.98533036  1
  H  H12  1  0.66241171  0.84202567  0.49139510  1
  H  H13  1  0.16375325  0.33824666  0.01466695  1
  H  H14  1  0.42490757  0.07862376  0.05610414  1
  H  H15  1  0.92749400  0.57619450  0.43592577  1
  H  H16  1  0.57509484  0.92137044  0.94389748  1
  H  H17  1  0.07249550  0.42381156  0.56407494  1
  H  H18  1  0.88966946  0.21126132  0.03835704  1
  H  H19  1  0.78290577  0.10502446  0.45516089  1
  H  H20  1  0.11033046  0.78873870  0.96163861  1
  H  H21  1  0.21709262  0.89497985  0.54483454  1
  C  C22  1  0.62385034  0.12007047  0.17057419  1
  C  C23  1  0.88180075  0.37755112  0.32648946  1
  C  C24  1  0.37615209  0.87992411  0.82943224  1
  C  C25  1  0.11819455  0.62245285  0.67350885  1
  C  C26  1  0.49742029  0.12134514  0.22676320  1
  C  C27  1  0.87928197  0.50318436  0.26787484  1
  C  C28  1  0.50258180  0.87864827  0.77323817  1
  C  C29  1  0.12071538  0.49681875  0.73212371  1
  C  C30  1  0.47008256  0.14744487  0.35382509  1
  C  C31  1  0.85064097  0.52976464  0.14123424  1
  C  C32  1  0.52991960  0.85254838  0.64617752  1
  C  C33  1  0.14936142  0.47023663  0.85876337  1
  C  C34  1  0.35874006  0.14011619  0.41112709  1
  C  C35  1  0.85583487  0.64146086  0.08261640  1
  C  C36  1  0.64125966  0.85988055  0.58887468  1
  C  C37  1  0.14417147  0.35853829  0.91738125  1
  C  C38  1  0.27409011  0.10699801  0.33855991  1
  C  C39  1  0.89070738  0.72654393  0.15302075  1
  C  C40  1  0.72590782  0.89300253  0.66144018  1
  C  C41  1  0.10929809  0.27345498  0.84697793  1
  C  C42  1  0.29899202  0.08429497  0.21235857  1
  C  C43  1  0.91926261  0.70010420  0.27812539  1
  C  C44  1  0.70100767  0.91570430  0.78764201  1
  C  C45  1  0.08073699  0.29989723  0.72187455  1
  C  C46  1  0.40895785  0.09372051  0.15423363  1
  C  C47  1  0.90944643  0.59150384  0.33832036  1
  C  C48  1  0.59104415  0.90627508  0.84576877  1
  C  C49  1  0.09054809  0.40850025  0.66167919  1
  N  N50  1  0.16472761  0.08217462  0.36828167  1
  N  N51  1  0.91460512  0.83720488  0.12386111  1
  N  N52  1  0.83526681  0.91783066  0.63171652  1
  N  N53  1  0.08540269  0.16279272  0.87613812  1
  N  N54  1  0.12599722  0.04221247  0.26845724  1
  N  N55  1  0.96233763  0.87118030  0.22312751  1
  N  N56  1  0.87399733  0.95779341  0.73154044  1
  N  N57  1  0.03766585  0.12881911  0.77687331  1
  N  N58  1  0.20214552  0.04662095  0.17180861  1
  N  N59  1  0.96352580  0.79206186  0.31702034  1
  N  N60  1  0.79785285  0.95338160  0.82819016  1
  N  N61  1  0.03647234  0.20794006  0.68298106  1
  O  O62  1  0.93277239  0.11585814  0.06413493  1
  O  O63  1  0.87971672  0.06439041  0.43360203  1
  O  O64  1  0.06722794  0.88414217  0.93586189  1
  O  O65  1  0.12028369  0.93561279  0.56639949  1
  O  O66  1  0.69419002  0.15442217  0.24047900  1
  O  O67  1  0.84877127  0.30407942  0.25909221  1
  O  O68  1  0.30581106  0.84557220  0.75952470  1
  O  O69  1  0.15122596  0.69592324  0.74090610  1
  O  O70  1  0.65335353  0.08201189  0.05926105  1
  O  O71  1  0.92007688  0.35151806  0.43782785  1
  O  O72  1  0.34664987  0.91798029  0.94074089  1
  O  O73  1  0.07991638  0.64848660  0.56217149  1
