# generated using pymatgen
data_FeCoH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41123375
_cell_length_b   9.52616459
_cell_length_c   9.52973401
_cell_angle_alpha   81.79810659
_cell_angle_beta   75.38654790
_cell_angle_gamma   75.78210577
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoH20C28(N3O2)4
_chemical_formula_sum   'Fe1 Co1 H20 C28 N12 O8'
_cell_volume   798.43515550
_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
  Co  Co0  1  0.73951966  0.95392343  0.70824657  1
  Fe  Fe1  1  0.23993327  0.71450601  0.94533106  1
  H  H2  1  0.38819260  0.01333149  0.61153295  1
  H  H3  1  0.88934748  0.61115774  0.02422995  1
  H  H4  1  0.59825798  0.49108081  0.77842186  1
  H  H5  1  0.10396544  0.77193588  0.48857513  1
  H  H6  1  0.87160318  0.87744958  0.17529012  1
  H  H7  1  0.36821398  0.17544652  0.88118433  1
  H  H8  1  0.07760199  0.30896381  0.24877254  1
  H  H9  1  0.57950150  0.24510080  0.29689420  1
  H  H10  1  0.59078250  0.92469204  0.08349095  1
  H  H11  1  0.08284081  0.08614884  0.92418570  1
  H  H12  1  0.95982388  0.11277575  0.40674538  1
  H  H13  1  0.46547005  0.40809722  0.10319925  1
  H  H14  1  0.78852709  0.63055329  0.53678622  1
  H  H15  1  0.29607163  0.52831269  0.62495806  1
  H  H16  1  0.21205264  0.02983289  0.44987318  1
  H  H17  1  0.70993668  0.45450643  0.03170118  1
  H  H18  1  0.31089955  0.98430137  0.18752158  1
  H  H19  1  0.80492514  0.19270843  0.98229298  1
  H  H20  1  0.98633359  0.56648099  0.30888295  1
  H  H21  1  0.49170258  0.30142546  0.55590309  1
  C  C22  1  0.42997152  0.99366268  0.49722400  1
  C  C23  1  0.92905383  0.49738003  0.00237676  1
  C  C24  1  0.44591141  0.90348740  0.86531169  1
  C  C25  1  0.93927166  0.86902862  0.90005242  1
  C  C26  1  0.55043680  0.75159252  0.83163124  1
  C  C27  1  0.04108033  0.82486079  0.74932710  1
  C  C28  1  0.98907194  0.33593085  0.34620565  1
  C  C29  1  0.49296668  0.34278727  0.32593738  1
  C  C30  1  0.54384528  0.94249111  0.19774592  1
  C  C31  1  0.03839788  0.19973278  0.94442643  1
  C  C32  1  0.82110681  0.26268150  0.56178950  1
  C  C33  1  0.32789078  0.56053467  0.25672956  1
  C  C34  1  0.92884506  0.22505261  0.43438406  1
  C  C35  1  0.43424233  0.43361984  0.21633150  1
  C  C36  1  0.82839179  0.51928722  0.50675028  1
  C  C37  1  0.33542362  0.50062312  0.51282011  1
  C  C38  1  0.77176003  0.40724379  0.59600031  1
  C  C39  1  0.27917744  0.59210640  0.40242074  1
  C  C40  1  0.63940331  0.93154301  0.29127785  1
  C  C41  1  0.13620464  0.29035562  0.93794249  1
  C  C42  1  0.33326925  0.00307653  0.40534008  1
  C  C43  1  0.83065395  0.40819212  0.00666877  1
  C  C44  1  0.38888267  0.97796134  0.25693696  1
  C  C45  1  0.88397516  0.26063261  0.97875662  1
  C  C46  1  0.93853321  0.48150956  0.38088200  1
  C  C47  1  0.44393088  0.37502906  0.47244659  1
  C  C48  1  0.58502231  0.95768888  0.43784755  1
  C  C49  1  0.08345032  0.43589189  0.96814074  1
  N  N50  1  0.83393900  0.91698057  0.39257459  1
  N  N51  1  0.33205326  0.38942898  0.92748368  1
  N  N52  1  0.64752576  0.26624277  0.76770852  1
  N  N53  1  0.15525617  0.76605004  0.26456700  1
  N  N54  1  0.71125760  0.94584372  0.49476945  1
  N  N55  1  0.20978482  0.49109957  0.95949744  1
  N  N56  1  0.66533427  0.40159907  0.72363154  1
  N  N57  1  0.17469346  0.72075016  0.39882082  1
  N  N58  1  0.74053139  0.18093141  0.67247738  1
  N  N59  1  0.24862840  0.67280846  0.17707723  1
  N  N60  1  0.79264927  0.90471385  0.27163443  1
  N  N61  1  0.28961771  0.26955240  0.91369538  1
  O  O62  1  0.48888003  0.64266396  0.87039560  1
  O  O63  1  0.98125770  0.86387665  0.64033334  1
  O  O64  1  0.50353155  0.01372847  0.82030376  1
  O  O65  1  0.99744258  0.82529531  0.00993482  1
  O  O66  1  0.31115508  0.90790025  0.93289608  1
  O  O67  1  0.80795430  0.94381747  0.90307457  1
  O  O68  1  0.68553165  0.74773681  0.76681780  1
  O  O69  1  0.17394375  0.75362267  0.74594469  1
