# generated using pymatgen
data_FeH12C10(N3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32810158
_cell_length_b   11.85198409
_cell_length_c   13.33505968
_cell_angle_alpha   116.05106619
_cell_angle_beta   86.94501303
_cell_angle_gamma   90.01697758
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH12C10(N3O4)2
_chemical_formula_sum   'Fe2 H24 C20 N12 O16'
_cell_volume   1038.69231940
_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  0.49967425  0.50014112  0.50007230  1
  Fe  Fe1  1  0.99884467  0.99995932  0.50016790  1
  H  H2  1  0.44964668  0.28861840  0.58021702  1
  H  H3  1  0.05369342  0.70726323  0.41932075  1
  H  H4  1  0.55042126  0.71138866  0.41979109  1
  H  H5  1  0.95066571  0.29265593  0.58021948  1
  H  H6  1  0.45340429  0.26583638  0.75382239  1
  H  H7  1  0.04341594  0.51221347  0.24735859  1
  H  H8  1  0.54649712  0.73415214  0.24619433  1
  H  H9  1  0.95379634  0.48755369  0.75272804  1
  H  H10  1  0.53750069  0.66684817  0.93010073  1
  H  H11  1  0.95956502  0.73638525  0.06893338  1
  H  H12  1  0.46244497  0.33314367  0.06990921  1
  H  H13  1  0.03910466  0.26359626  0.93122438  1
  H  H14  1  0.53085514  0.67561857  0.74869036  1
  H  H15  1  0.97211600  0.92539081  0.24875974  1
  H  H16  1  0.46910669  0.32439043  0.25134054  1
  H  H17  1  0.03250237  0.07470263  0.75091482  1
  H  H18  1  0.39411864  0.75001914  0.59650653  1
  H  H19  1  0.10476343  0.15317876  0.40257850  1
  H  H20  1  0.60564870  0.25011846  0.40349486  1
  H  H21  1  0.89408683  0.84663579  0.59737975  1
  H  H22  1  0.21179346  0.67653436  0.59669366  1
  H  H23  1  0.28663790  0.07892901  0.40207438  1
  H  H24  1  0.78789391  0.32372728  0.40343630  1
  H  H25  1  0.71122864  0.91992658  0.59781524  1
  C  C26  1  0.46956501  0.37188482  0.65815902  1
  C  C27  1  0.03210673  0.71304053  0.34134759  1
  C  C28  1  0.53051076  0.62810046  0.34184223  1
  C  C29  1  0.97075296  0.28688740  0.65834331  1
  C  C30  1  0.47015813  0.35763408  0.75537686  1
  C  C31  1  0.02834015  0.60215462  0.24502096  1
  C  C32  1  0.52983105  0.64234569  0.24462535  1
  C  C33  1  0.97132251  0.39771986  0.75493126  1
  C  C34  1  0.49318584  0.46449256  0.85599328  1
  C  C35  1  0.00424536  0.60828653  0.14396748  1
  C  C36  1  0.50672756  0.53549580  0.14401059  1
  C  C37  1  0.99439187  0.39164328  0.85611402  1
  C  C38  1  0.51688134  0.58169058  0.85465170  1
  C  C39  1  0.98198636  0.72642971  0.14448377  1
  C  C40  1  0.48308867  0.41830165  0.14536149  1
  C  C41  1  0.01834611  0.27357225  0.85549754  1
  C  C42  1  0.51433505  0.58656748  0.75331425  1
  C  C43  1  0.98730159  0.83218464  0.24530385  1
  C  C44  1  0.48569314  0.41342101  0.24669914  1
  C  C45  1  0.01580386  0.16785111  0.75446047  1
  N  N46  1  0.49194094  0.48342551  0.65591578  1
  N  N47  1  0.01037617  0.82678390  0.34339790  1
  N  N48  1  0.50827627  0.51653783  0.34408104  1
  N  N49  1  0.99310905  0.17320023  0.65632317  1
  N  N50  1  0.49146190  0.44923198  0.95590583  1
  N  N51  1  0.00460559  0.49336301  0.04465200  1
  N  N52  1  0.50838679  0.55075023  0.04410023  1
  N  N53  1  0.99243891  0.50652093  0.95555814  1
  N  N54  1  0.87152624  0.62762124  0.59185386  1
  N  N55  1  0.62863642  0.03608754  0.40782143  1
  N  N56  1  0.12851973  0.37271626  0.40818782  1
  N  N57  1  0.37077095  0.96406145  0.59235127  1
  O  O58  1  0.72152300  0.63389204  0.54896115  1
  O  O59  1  0.77817869  0.08529156  0.45131926  1
  O  O60  1  0.27840101  0.36625089  0.45109021  1
  O  O61  1  0.21993383  0.91611525  0.55003945  1
  O  O62  1  0.91073727  0.53864555  0.61252900  1
  O  O63  1  0.59039214  0.92634891  0.38663516  1
  O  O64  1  0.08957073  0.46182430  0.38760887  1
  O  O65  1  0.41130282  0.07322910  0.61280830  1
  O  O66  1  0.98070424  0.71884324  0.61246933  1
  O  O67  1  0.51920319  0.10665255  0.38719620  1
  O  O68  1  0.01917138  0.28159496  0.38743816  1
  O  O69  1  0.47926682  0.89274587  0.61266815  1
  O  O70  1  0.34680312  0.66680554  0.58519114  1
  O  O71  1  0.15162176  0.08096081  0.41380590  1
  O  O72  1  0.65288432  0.33334316  0.41492936  1
  O  O73  1  0.84625553  0.91852948  0.58599300  1
