# generated using pymatgen
data_FeH14C20N2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.06828719
_cell_length_b   10.23446443
_cell_length_c   11.35555659
_cell_angle_alpha   112.01921174
_cell_angle_beta   95.11243702
_cell_angle_gamma   114.93937248
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH14C20N2O5
_chemical_formula_sum   'Fe2 H28 C40 N4 O10'
_cell_volume   846.75053919
_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  0.47282784  0.87207263  0.71566895  1
  Fe  Fe1  1  0.52723149  0.12798198  0.28435512  1
  H  H2  1  0.38762705  0.80166551  0.40138793  1
  H  H3  1  0.61236615  0.19834471  0.59861401  1
  H  H4  1  0.47113230  0.67948091  0.20707395  1
  H  H5  1  0.52883524  0.32051383  0.79291481  1
  H  H6  1  0.65935604  0.55924392  0.22580925  1
  H  H7  1  0.34061038  0.44074473  0.77416869  1
  H  H8  1  0.83263664  0.51082099  0.37491281  1
  H  H9  1  0.16732419  0.48915987  0.62504789  1
  H  H10  1  0.94511110  0.54989347  0.60079496  1
  H  H11  1  0.05481871  0.45002415  0.39914672  1
  H  H12  1  0.95817066  0.65196712  0.84095600  1
  H  H13  1  0.04173189  0.34790620  0.15899161  1
  H  H14  1  0.86073165  0.79536728  0.02631067  1
  H  H15  1  0.13920285  0.20451927  0.97364490  1
  H  H16  1  0.65631648  0.87796079  0.97427091  1
  H  H17  1  0.34367721  0.12199855  0.02571704  1
  H  H18  1  0.96174148  0.29077267  0.77892473  1
  H  H19  1  0.03831728  0.70927827  0.22110628  1
  H  H20  1  0.77735889  0.43653626  0.11477708  1
  H  H21  1  0.22269771  0.56351679  0.88525047  1
  H  H22  1  0.20154200  0.90922641  0.41740088  1
  H  H23  1  0.79846467  0.09081202  0.58263786  1
  H  H24  1  0.97256311  0.04295329  0.72602766  1
  H  H25  1  0.02743623  0.95706516  0.27400437  1
  H  H26  1  0.23968820  0.84467133  0.81026912  1
  H  H27  1  0.76033459  0.15531602  0.18972415  1
  H  H28  1  0.34572280  0.81138239  0.90745406  1
  H  H29  1  0.65432612  0.18866580  0.09257032  1
  C  C30  1  0.46899057  0.75007205  0.40962874  1
  C  C31  1  0.53100275  0.24993269  0.59036768  1
  C  C32  1  0.51655886  0.68037869  0.29940552  1
  C  C33  1  0.48341640  0.31961935  0.70058254  1
  C  C34  1  0.62221374  0.61715624  0.31043951  1
  C  C35  1  0.37776090  0.38283995  0.68954132  1
  C  C36  1  0.68459723  0.62972652  0.43475265  1
  C  C37  1  0.31537853  0.37026496  0.56522576  1
  C  C38  1  0.79663827  0.57253742  0.45881163  1
  C  C39  1  0.20332809  0.42744087  0.54115422  1
  C  C40  1  0.85657106  0.59157281  0.58346579  1
  C  C41  1  0.14338195  0.40837379  0.41649034  1
  C  C42  1  0.80821698  0.66755617  0.69355634  1
  C  C43  1  0.19174193  0.33238654  0.30640601  1
  C  C44  1  0.86831388  0.69200484  0.82303270  1
  C  C45  1  0.13162059  0.30790298  0.17692208  1
  C  C46  1  0.81496944  0.76923291  0.92401779  1
  C  C47  1  0.18497562  0.23067715  0.07594323  1
  C  C48  1  0.70017732  0.81859845  0.89572317  1
  C  C49  1  0.29979812  0.18134994  0.10425548  1
  C  C50  1  0.69382751  0.72336460  0.67232230  1
  C  C51  1  0.30615176  0.27660375  0.32765495  1
  C  C52  1  0.63204575  0.70435679  0.54304264  1
  C  C53  1  0.36794060  0.29563492  0.45694316  1
  C  C54  1  0.69781513  0.18572852  0.87599398  1
  C  C55  1  0.30224976  0.81433451  0.12404356  1
  C  C56  1  0.85314767  0.34798760  0.93997714  1
  C  C57  1  0.14690640  0.65206982  0.06005666  1
  C  C58  1  0.97860593  0.38327547  0.87545560  1
  C  C59  1  0.02144884  0.61677523  0.12457207  1
  C  C60  1  0.87512101  0.46523116  0.06483657  1
  C  C61  1  0.12493883  0.53482960  0.93519128  1
  C  C62  1  0.19533650  0.93481954  0.66248613  1
  C  C63  1  0.80467935  0.06521578  0.33754956  1
  C  C64  1  0.09558659  0.96995017  0.57956015  1
  C  C65  1  0.90442227  0.03007744  0.42047735  1
  C  C66  1  0.10988259  0.94524097  0.45229871  1
  C  C67  1  0.89012213  0.05479133  0.54773715  1
  C  C68  1  0.98588141  0.02599402  0.62737170  1
  C  C69  1  0.01411994  0.97403228  0.37266329  1
  N  N70  1  0.52143553  0.75771449  0.52763821  1
  N  N71  1  0.47856343  0.24229423  0.47235782  1
  N  N72  1  0.63984158  0.79487899  0.77248975  1
  N  N73  1  0.36014507  0.20508950  0.22749357  1
  O  O74  1  0.67912165  0.09185075  0.75672350  1
  O  O75  1  0.32096896  0.90818349  0.24333359  1
  O  O76  1  0.59039891  0.14607324  0.93820579  1
  O  O77  1  0.40962390  0.85401107  0.06181419  1
  O  O78  1  0.29113889  0.88293099  0.60807569  1
  O  O79  1  0.70893354  0.11717096  0.39197186  1
  O  O80  1  0.17931004  0.95580591  0.77647220  1
  O  O81  1  0.82065973  0.04416358  0.22353324  1
  O  O82  1  0.29947801  0.78001898  0.81135156  1
  O  O83  1  0.70059289  0.22001517  0.18866232  1
