# generated using pymatgen
data_FeNiH24C20(N3O4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32844126
_cell_length_b   11.84918263
_cell_length_c   13.33799968
_cell_angle_alpha   116.07371979
_cell_angle_beta   86.95532241
_cell_angle_gamma   90.01496969
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiH24C20(N3O4)4
_chemical_formula_sum   'Fe1 Ni1 H24 C20 N12 O16'
_cell_volume   1038.53363084
_cell_formula_units_Z   1
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  0.49990485  0.50014023  0.50006652  1
  Ni  Ni1  1  0.99994333  1.00001861  0.49996927  1
  H  H2  1  0.45041241  0.28861812  0.57987449  1
  H  H3  1  0.05299808  0.71090415  0.42169970  1
  H  H4  1  0.54986920  0.71134712  0.42008813  1
  H  H5  1  0.95020832  0.28908702  0.57804863  1
  H  H6  1  0.45381315  0.26394719  0.75300065  1
  H  H7  1  0.04337386  0.51437138  0.24977789  1
  H  H8  1  0.54603878  0.73600676  0.24695865  1
  H  H9  1  0.95482861  0.48548090  0.75038912  1
  H  H10  1  0.53627089  0.66480795  0.93125247  1
  H  H11  1  0.96146321  0.73645706  0.07007350  1
  H  H12  1  0.46362100  0.33516937  0.06876694  1
  H  H13  1  0.03795900  0.26350813  0.93006623  1
  H  H14  1  0.52993633  0.67528985  0.75024913  1
  H  H15  1  0.97297809  0.92618828  0.25010649  1
  H  H16  1  0.47006707  0.32469318  0.24976378  1
  H  H17  1  0.03078892  0.07390471  0.74971671  1
  H  H18  1  0.39060736  0.75005873  0.59628273  1
  H  H19  1  0.10672300  0.15120107  0.40422410  1
  H  H20  1  0.60897027  0.24993324  0.40379827  1
  H  H21  1  0.89263109  0.84881936  0.59548030  1
  H  H22  1  0.21020309  0.67520618  0.59588726  1
  H  H23  1  0.28721045  0.07757424  0.40626509  1
  H  H24  1  0.78931142  0.32488753  0.40424494  1
  H  H25  1  0.71187710  0.92196679  0.59309358  1
  C  C26  1  0.46958309  0.37131282  0.65839363  1
  C  C27  1  0.03095578  0.71554441  0.34338263  1
  C  C28  1  0.53061696  0.62864322  0.34159200  1
  C  C29  1  0.97050273  0.28439807  0.65653726  1
  C  C30  1  0.47007667  0.35599188  0.75505601  1
  C  C31  1  0.02820923  0.60397838  0.24685780  1
  C  C32  1  0.52987688  0.64396993  0.24494474  1
  C  C33  1  0.97113308  0.39591590  0.75323185  1
  C  C34  1  0.49255632  0.46264168  0.85597541  1
  C  C35  1  0.00545668  0.60854712  0.14504258  1
  C  C36  1  0.50728763  0.53733847  0.14403950  1
  C  C37  1  0.99333405  0.39137217  0.85510726  1
  C  C38  1  0.51602512  0.58024709  0.85527120  1
  C  C39  1  0.98279226  0.72702919  0.14607358  1
  C  C40  1  0.48392122  0.41972546  0.14474305  1
  C  C41  1  0.01718111  0.27296174  0.85401266  1
  C  C42  1  0.51362961  0.58597914  0.75444552  1
  C  C43  1  0.98712684  0.83323672  0.24697294  1
  C  C44  1  0.48647257  0.41398662  0.24555939  1
  C  C45  1  0.01473479  0.16678272  0.75295081  1
  N  N46  1  0.49121601  0.48309519  0.65667867  1
  N  N47  1  0.00914444  0.82931905  0.34572011  1
  N  N48  1  0.50917687  0.51682923  0.34329464  1
  N  N49  1  0.99246108  0.17064617  0.65422199  1
  N  N50  1  0.49118118  0.44875935  0.95642433  1
  N  N51  1  0.00613522  0.49325886  0.04450287  1
  N  N52  1  0.50854440  0.55122829  0.04359278  1
  N  N53  1  0.99131766  0.50663837  0.95572396  1
  N  N54  1  0.87085370  0.62727571  0.59135995  1
  N  N55  1  0.63329830  0.03471720  0.40985557  1
  N  N56  1  0.12906773  0.37291864  0.40863637  1
  N  N57  1  0.36644832  0.96533113  0.59028176  1
  O  O58  1  0.72067977  0.63402106  0.54871133  1
  O  O59  1  0.78330559  0.08275110  0.45394180  1
  O  O60  1  0.27914867  0.36610297  0.45131997  1
  O  O61  1  0.21552009  0.91783030  0.54731845  1
  O  O62  1  0.90844937  0.53825143  0.61250696  1
  O  O63  1  0.59402750  0.92479923  0.38734223  1
  O  O64  1  0.09160141  0.46204933  0.38761213  1
  O  O65  1  0.40665576  0.07487861  0.61192828  1
  O  O66  1  0.98065690  0.71772141  0.61109458  1
  O  O67  1  0.52520270  0.10705415  0.39060968  1
  O  O68  1  0.01922629  0.28244867  0.38874827  1
  O  O69  1  0.47452946  0.89287805  0.60943033  1
  O  O70  1  0.34553596  0.66651578  0.58576519  1
  O  O71  1  0.15209121  0.07745983  0.41320749  1
  O  O72  1  0.65399177  0.33352666  0.41441284  1
  O  O73  1  0.84705075  0.92250922  0.58650258  1
