# generated using pymatgen
data_FeCoH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40799435
_cell_length_b   9.52399552
_cell_length_c   9.52778204
_cell_angle_alpha   81.78916724
_cell_angle_beta   75.39158430
_cell_angle_gamma   75.79254912
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoH20C28(N3O2)4
_chemical_formula_sum   'Fe1 Co1 H20 C28 N12 O8'
_cell_volume   797.85443691
_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  0.74084199  0.94304494  0.72091007  1
  Co  Co1  1  0.23908582  0.70847840  0.95179745  1
  H  H2  1  0.39073948  0.01293457  0.60981238  1
  H  H3  1  0.88995679  0.61262701  0.02460759  1
  H  H4  1  0.59732126  0.49284226  0.77799745  1
  H  H5  1  0.10550100  0.77187491  0.48602238  1
  H  H6  1  0.87233427  0.87655134  0.17371559  1
  H  H7  1  0.36749592  0.17669004  0.88262794  1
  H  H8  1  0.07762117  0.30947566  0.24829727  1
  H  H9  1  0.57941059  0.24470118  0.29629739  1
  H  H10  1  0.58888674  0.92453689  0.08245613  1
  H  H11  1  0.08631487  0.08929641  0.92459690  1
  H  H12  1  0.95999302  0.11338815  0.40969459  1
  H  H13  1  0.46635857  0.40918716  0.10098576  1
  H  H14  1  0.78854166  0.63156012  0.53591610  1
  H  H15  1  0.29422382  0.53219230  0.62072443  1
  H  H16  1  0.21141773  0.03033458  0.44961249  1
  H  H17  1  0.70993926  0.45595764  0.03209580  1
  H  H18  1  0.31040744  0.98429099  0.18537072  1
  H  H19  1  0.80718225  0.19242323  0.98218266  1
  H  H20  1  0.98615005  0.56844783  0.30755957  1
  H  H21  1  0.48975689  0.30301376  0.55570419  1
  C  C22  1  0.43009766  0.99409905  0.49521070  1
  C  C23  1  0.92940569  0.49900557  0.00252691  1
  C  C24  1  0.43961373  0.89920442  0.86746468  1
  C  C25  1  0.94559285  0.86767875  0.90427850  1
  C  C26  1  0.54474379  0.74758516  0.83453175  1
  C  C27  1  0.04662427  0.82239594  0.75364593  1
  C  C28  1  0.98933689  0.33699407  0.34576375  1
  C  C29  1  0.49289425  0.34279842  0.32446956  1
  C  C30  1  0.54260519  0.94332750  0.19635186  1
  C  C31  1  0.03955885  0.20239554  0.94522065  1
  C  C32  1  0.82058186  0.26438577  0.56160146  1
  C  C33  1  0.32751989  0.56061277  0.25357495  1
  C  C34  1  0.92918678  0.22632578  0.43512342  1
  C  C35  1  0.43474149  0.43385493  0.21434763  1
  C  C36  1  0.82881676  0.52065274  0.50554254  1
  C  C37  1  0.33470096  0.50190963  0.50961598  1
  C  C38  1  0.77167685  0.40911821  0.59518431  1
  C  C39  1  0.27862799  0.59246175  0.39883813  1
  C  C40  1  0.63907267  0.93170990  0.28907328  1
  C  C41  1  0.13674232  0.29372652  0.93780707  1
  C  C42  1  0.33248100  0.00384768  0.40394747  1
  C  C43  1  0.83082501  0.40954310  0.00716109  1
  C  C44  1  0.38767038  0.97864124  0.25555338  1
  C  C45  1  0.88485239  0.26189456  0.97926123  1
  C  C46  1  0.93879205  0.48296691  0.37951553  1
  C  C47  1  0.44305621  0.37566901  0.47090732  1
  C  C48  1  0.58487198  0.95729054  0.43587739  1
  C  C49  1  0.08417089  0.43902614  0.96770520  1
  N  N50  1  0.83343213  0.91426900  0.39140700  1
  N  N51  1  0.33357817  0.39198440  0.92542425  1
  N  N52  1  0.64646274  0.26892274  0.76668022  1
  N  N53  1  0.15386475  0.76595025  0.26137589  1
  N  N54  1  0.71054122  0.94409768  0.49332600  1
  N  N55  1  0.21178818  0.49360098  0.95906434  1
  N  N56  1  0.66529979  0.40387532  0.72304919  1
  N  N57  1  0.17421840  0.72098372  0.39563995  1
  N  N58  1  0.73884369  0.18316555  0.67129025  1
  N  N59  1  0.24783698  0.67337283  0.17374391  1
  N  N60  1  0.79261719  0.90417971  0.26962032  1
  N  N61  1  0.29011325  0.27213566  0.91232518  1
  O  O62  1  0.48508162  0.63787215  0.87311107  1
  O  O63  1  0.98592134  0.86026299  0.64484111  1
  O  O64  1  0.49830999  0.00932341  0.82540853  1
  O  O65  1  1.00169688  0.82217947  0.01471146  1
  O  O66  1  0.30420951  0.90296202  0.93268162  1
  O  O67  1  0.81484818  0.94471606  0.90757135  1
  O  O68  1  0.68046512  0.74346120  0.77021620  1
  O  O69  1  0.17917151  0.75107176  0.75078733  1
