# generated using pymatgen
data_MnFe2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.94380308
_cell_length_b   10.93205181
_cell_length_c   10.93806959
_cell_angle_alpha   89.10172961
_cell_angle_beta   88.91079405
_cell_angle_gamma   63.46701004
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFe2H8C14(NO)6
_chemical_formula_sum   'Mn2 Fe4 H16 C28 N12 O12'
_cell_volume   1170.53542001
_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  0.90298943  0.09875831  0.25096190  1
  Fe  Fe1  1  0.09701020  0.90124300  0.74903572  1
  Mn  Mn2  1  0.85001992  1.00104332  -0.00687102  1
  Fe  Fe3  1  0.00421899  0.14547860  0.50831912  1
  Mn  Mn4  1  0.14998120  -0.00104395  1.00687076  1
  Fe  Fe5  1  0.99577638  0.85452693  0.49168052  1
  H  H6  1  0.53999622  0.17324429  0.41290243  1
  H  H7  1  0.82631360  0.46203208  0.09323730  1
  H  H8  1  0.46000748  0.82674582  0.58710145  1
  H  H9  1  0.17369006  0.53796852  0.90675929  1
  H  H10  1  0.33851898  0.16157363  0.51566902  1
  H  H11  1  0.84032129  0.66292400  0.99219714  1
  H  H12  1  0.66148075  0.83842305  0.48433277  1
  H  H13  1  0.15968779  0.33707440  0.00780001  1
  H  H14  1  0.42384035  0.07607608  0.06357440  1
  H  H15  1  0.92426991  0.57537369  0.44348547  1
  H  H16  1  0.57616227  0.92391878  0.93642827  1
  H  H17  1  0.07571957  0.42463209  0.55651487  1
  H  H18  1  0.89502847  0.21717161  0.04592799  1
  H  H19  1  0.78896979  0.11109528  0.46286766  1
  H  H20  1  0.10497203  0.78282929  0.95406816  1
  H  H21  1  0.21102625  0.88890989  0.53713024  1
  C  C22  1  0.62269018  0.11935676  0.17437320  1
  C  C23  1  0.88060538  0.37668594  0.32991575  1
  C  C24  1  0.37731260  0.88063559  0.82562949  1
  C  C25  1  0.11938989  0.62331809  0.67008358  1
  C  C26  1  0.49688330  0.12173482  0.23266691  1
  C  C27  1  0.87939055  0.50297926  0.27357912  1
  C  C28  1  0.50311944  0.87825797  0.76733627  1
  C  C29  1  0.12060700  0.49702351  0.72641861  1
  C  C30  1  0.47043347  0.14889477  0.35972072  1
  C  C31  1  0.85213372  0.53038599  0.14687723  1
  C  C32  1  0.52956895  0.85109795  0.64028272  1
  C  C33  1  0.14786874  0.46961543  0.85311988  1
  C  C34  1  0.35882735  0.14310950  0.41811501  1
  C  C35  1  0.85904084  0.64176674  0.08944229  1
  C  C36  1  0.64117272  0.85688675  0.58188718  1
  C  C37  1  0.14096516  0.35823273  0.91055601  1
  C  C38  1  0.27363377  0.10943098  0.34689882  1
  C  C39  1  0.89308452  0.72632620  0.16147964  1
  C  C40  1  0.72636451  0.89056887  0.65310223  1
  C  C41  1  0.10692085  0.27367282  0.83851900  1
  C  C42  1  0.29924934  0.08334984  0.22117848  1
  C  C43  1  0.91780082  0.70090537  0.28720645  1
  C  C44  1  0.70074961  0.91664989  0.77882255  1
  C  C45  1  0.08219959  0.29909617  0.71279323  1
  C  C46  1  0.40823131  0.09311115  0.16139980  1
  C  C47  1  0.90838390  0.59115108  0.34554543  1
  C  C48  1  0.59177019  0.90688426  0.83860240  1
  C  C49  1  0.09161212  0.40885234  0.65445418  1
  N  N50  1  0.16342323  0.08476774  0.37581581  1
  N  N51  1  0.91760816  0.83575712  0.13136455  1
  N  N52  1  0.83657126  0.91523748  0.62418314  1
  N  N53  1  0.08240024  0.16424054  0.86863467  1
  N  N54  1  0.12875948  0.03898632  0.27569260  1
  N  N55  1  0.95955594  0.87390468  0.23039731  1
  N  N56  1  0.87123524  0.96101956  0.72430616  1
  N  N57  1  0.04044937  0.12609415  0.76960254  1
  N  N58  1  0.20653055  0.04063608  0.18143483  1
  N  N59  1  0.95715510  0.79707517  0.32687880  1
  N  N60  1  0.79346546  0.95936859  0.81856447  1
  N  N61  1  0.04284578  0.20292556  0.67312159  1
  O  O62  1  0.93569248  0.12031801  0.06699675  1
  O  O63  1  0.88429365  0.06734447  0.43648325  1
  O  O64  1  0.06430759  0.87968369  0.93300120  1
  O  O65  1  0.11570316  0.93266048  0.56351667  1
  O  O66  1  0.69629811  0.15116518  0.24260466  1
  O  O67  1  0.84535934  0.30646492  0.26052336  1
  O  O68  1  0.30370317  0.84883044  0.75739684  1
  O  O69  1  0.15463590  0.69353877  0.73947425  1
  O  O70  1  0.64866064  0.08249909  0.06245174  1
  O  O71  1  0.91972569  0.34699946  0.44067698  1
  O  O72  1  0.35134271  0.91749093  0.93755161  1
  O  O73  1  0.08026748  0.65300491  0.55932097  1
