# generated using pymatgen
data_FeH12C16(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08932684
_cell_length_b   10.48220344
_cell_length_c   10.94237196
_cell_angle_alpha   90.00004309
_cell_angle_beta   88.66427822
_cell_angle_gamma   89.99978251
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH12C16(NO2)2
_chemical_formula_sum   'Fe2 H24 C32 N4 O8'
_cell_volume   927.59503186
_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  0.00000145  0.49999981  0.00000047  1
  Fe  Fe1  1  0.49999854  0.00000040  0.49999966  1
  H  H2  1  0.69586593  0.61081456  0.91025217  1
  H  H3  1  0.80414073  0.11081684  0.58974187  1
  H  H4  1  0.30413571  0.38918373  0.08975547  1
  H  H5  1  0.19585953  0.88918144  0.41024833  1
  H  H6  1  0.43971064  0.53515057  0.81165735  1
  H  H7  1  0.06029634  0.03515101  0.68833472  1
  H  H8  1  0.56029001  0.46484940  0.18835046  1
  H  H9  1  0.93970487  0.96484713  0.31165361  1
  H  H10  1  0.65294131  0.15714598  0.79833375  1
  H  H11  1  0.84705762  0.65715092  0.70167135  1
  H  H12  1  0.34706351  0.84285667  0.20165840  1
  H  H13  1  0.15293214  0.34285148  0.29833759  1
  H  H14  1  0.90164114  0.24531091  0.89691239  1
  H  H15  1  0.59836012  0.74531716  0.60309192  1
  H  H16  1  0.09836371  0.75468893  0.10308165  1
  H  H17  1  0.40163197  0.25468500  0.39691490  1
  H  H18  1  0.24953889  0.16376940  0.63011095  1
  H  H19  1  0.25046217  0.66376228  0.86988489  1
  H  H20  1  0.75045919  0.83623493  0.36988747  1
  H  H21  1  0.74953823  0.33624059  0.13011478  1
  H  H22  1  0.10330744  0.29322279  0.74337398  1
  H  H23  1  0.39669302  0.79321749  0.75662479  1
  H  H24  1  0.89669443  0.70678115  0.25662493  1
  H  H25  1  0.60330346  0.20678697  0.24337645  1
  C  C26  1  0.68279595  0.51185833  0.88233821  1
  C  C27  1  0.81720931  0.01186061  0.61765734  1
  C  C28  1  0.31720589  0.48814111  0.11766598  1
  C  C29  1  0.18279001  0.98813791  0.38233614  1
  C  C30  1  0.53912378  0.46896357  0.83095874  1
  C  C31  1  0.96088221  0.96896562  0.66903793  1
  C  C32  1  0.46087887  0.53103640  0.16904567  1
  C  C33  1  0.03911713  0.03103371  0.33095555  1
  C  C34  1  0.65830635  0.25791012  0.82147514  1
  C  C35  1  0.84169347  0.75791475  0.67852903  1
  C  C36  1  0.34169830  0.74209183  0.17851982  1
  C  C37  1  0.15829923  0.24208654  0.32147696  1
  C  C38  1  0.79789273  0.30654801  0.87423128  1
  C  C39  1  0.70210824  0.80655306  0.62577077  1
  C  C40  1  0.20211159  0.69345302  0.12576461  1
  C  C41  1  0.29788640  0.19344792  0.37423346  1
  C  C42  1  0.52242193  0.33897122  0.80157420  1
  C  C43  1  0.97758008  0.83897394  0.69842776  1
  C  C44  1  0.47758034  0.66103015  0.19842564  1
  C  C45  1  0.02241616  0.16102639  0.30157224  1
  C  C46  1  0.36834349  0.29201967  0.75141928  1
  C  C47  1  0.13165857  0.79201968  0.74858101  1
  C  C48  1  0.63165823  0.70798417  0.24857963  1
  C  C49  1  0.86833866  0.20798196  0.25141892  1
  C  C50  1  0.37118770  0.19802209  0.65978649  1
  C  C51  1  0.12881437  0.69801915  0.84021143  1
  C  C52  1  0.62881025  0.80198034  0.34021323  1
  C  C53  1  0.87118586  0.30198252  0.15978812  1
  C  C54  1  0.20874824  0.33665601  0.79144435  1
  C  C55  1  0.29125273  0.83665530  0.70855710  1
  C  C56  1  0.79125512  0.66334649  0.20855616  1
  C  C57  1  0.70874288  0.16334640  0.29144285  1
  N  N58  1  0.81060419  0.43213310  0.90370113  1
  N  N59  1  0.68939882  0.93213810  0.59629843  1
  N  N60  1  0.18939904  0.56786621  0.09629983  1
  N  N61  1  0.31059734  0.06786209  0.40370053  1
  O  O62  1  0.50373539  0.15698896  0.60862732  1
  O  O63  1  0.99626627  0.65698571  0.89136817  1
  O  O64  1  0.49626181  0.84301240  0.39137147  1
  O  O65  1  0.00373564  0.34301443  0.10863237  1
  O  O66  1  0.18601823  0.41586938  0.87607916  1
  O  O67  1  0.31398561  0.91587165  0.62392566  1
  O  O68  1  0.81398509  0.58413112  0.12392296  1
  O  O69  1  0.68601050  0.08412831  0.37607334  1
