# generated using pymatgen
data_FeCoH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04460237
_cell_length_b   12.23676745
_cell_length_c   11.33926456
_cell_angle_alpha   79.67575662
_cell_angle_beta   80.89269506
_cell_angle_gamma   70.69181300
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoH40C40(N2O)8
_chemical_formula_sum   'Fe1 Co1 H40 C40 N16 O8'
_cell_volume   1030.48469785
_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  -0.00007695  -0.00035768  0.00008243  1
  Fe  Fe1  1  0.49999756  0.50000356  0.50000126  1
  H  H2  1  0.23941057  0.43882623  0.83564269  1
  H  H3  1  0.76059082  0.56116802  0.16436494  1
  H  H4  1  0.81245119  0.37384698  0.08766677  1
  H  H5  1  0.18755308  0.62615003  0.91233669  1
  H  H6  1  0.71017657  0.09743806  0.82467743  1
  H  H7  1  0.28982000  0.90256731  0.17531584  1
  H  H8  1  0.65923459  0.10001745  0.19253999  1
  H  H9  1  0.34076643  0.89998399  0.80745862  1
  H  H10  1  0.33861618  0.20871598  0.11651040  1
  H  H11  1  0.66138393  0.79128034  0.88348717  1
  H  H12  1  0.38018219  0.18881407  0.87863151  1
  H  H13  1  0.61981428  0.81118246  0.12136421  1
  H  H14  1  0.09647350  0.15516710  0.76500948  1
  H  H15  1  0.90354687  0.84485872  0.23496434  1
  H  H16  1  0.97677536  0.83937681  0.81936047  1
  H  H17  1  0.02322883  0.16067498  0.18064986  1
  H  H18  1  0.08901747  0.87969455  0.58297721  1
  H  H19  1  0.91099064  0.12031019  0.41703700  1
  H  H20  1  0.15063336  0.08633497  0.55263770  1
  H  H21  1  0.84938865  0.91366939  0.44733351  1
  H  H22  1  0.42511363  0.19469740  0.37512441  1
  H  H23  1  0.57488607  0.80530346  0.62487253  1
  H  H24  1  0.62371357  0.97234318  0.69460803  1
  H  H25  1  0.37629256  0.02765655  0.30538764  1
  H  H26  1  0.36904332  0.69822226  0.28719730  1
  H  H27  1  0.63094594  0.30178296  0.71280558  1
  H  H28  1  0.55841123  0.33390354  0.30510055  1
  H  H29  1  0.44159424  0.66610234  0.69490363  1
  H  H30  1  0.42549395  0.41852909  0.09114787  1
  H  H31  1  0.57451117  0.58147314  0.90885562  1
  H  H32  1  0.31183421  0.65347452  0.08290431  1
  H  H33  1  0.68815762  0.34652794  0.91709766  1
  H  H34  1  0.22228458  0.39155962  0.63685315  1
  H  H35  1  0.77772174  0.60844524  0.36314676  1
  H  H36  1  0.15591686  0.72500579  0.45653581  1
  H  H37  1  0.84406520  0.27500399  0.54346869  1
  H  H38  1  0.83512058  0.71568634  0.56372974  1
  H  H39  1  0.16486839  0.28431101  0.43627198  1
  H  H40  1  0.89329598  0.50140207  0.69287499  1
  H  H41  1  0.10670993  0.49859274  0.30712671  1
  C  C42  1  0.04795230  0.28162871  0.90647567  1
  C  C43  1  0.95203909  0.71835371  0.09353298  1
  C  C44  1  0.02694630  0.39367594  0.95445329  1
  C  C45  1  0.97305485  0.60632296  0.04555350  1
  C  C46  1  0.13313623  0.46532051  0.90740708  1
  C  C47  1  0.86686564  0.53467659  0.09260051  1
  C  C48  1  0.89495631  0.42932353  0.04878737  1
  C  C49  1  0.10504454  0.57067620  0.95121903  1
  C  C50  1  0.62602256  0.10945256  0.10189025  1
  C  C51  1  0.37398313  0.89055933  0.89810475  1
  C  C52  1  0.45973499  0.16542807  0.06271469  1
  C  C53  1  0.54025876  0.83456901  0.93728351  1
  C  C54  1  0.47916907  0.15507075  0.94175399  1
  C  C55  1  0.52083152  0.84492578  0.05824364  1
  C  C56  1  0.01094243  0.91566764  0.77284429  1
  C  C57  1  0.98907514  0.08436802  0.22716533  1
  C  C58  1  0.07071434  0.93574690  0.65187633  1
  C  C59  1  0.92928982  0.06426588  0.34812910  1
  C  C60  1  0.10626911  0.04063763  0.63610885  1
  C  C61  1  0.89374075  0.95938245  0.36387422  1
  C  C62  1  0.54544301  0.20054395  0.58341848  1
  C  C63  1  0.45455308  0.79945830  0.41658070  1
  C  C64  1  0.52242414  0.09693041  0.54116007  1
  C  C65  1  0.47757957  0.90306989  0.45883633  1
  C  C66  1  0.45480153  0.10950315  0.43122086  1
  C  C67  1  0.54520234  0.89049729  0.56877537  1
  C  C68  1  0.56847908  0.98563030  0.60930826  1
  C  C69  1  0.43152635  0.01436939  0.39068763  1
  C  C70  1  0.49263218  0.42433463  0.27177644  1
  C  C71  1  0.50736900  0.57567025  0.72822787  1
  C  C72  1  0.43154773  0.46864028  0.16000102  1
  C  C73  1  0.56845092  0.53136345  0.84000380  1
  C  C74  1  0.36899386  0.58894007  0.15643290  1
  C  C75  1  0.63099565  0.41106395  0.84357125  1
  C  C76  1  0.12680702  0.65316509  0.51734622  1
  C  C77  1  0.87318201  0.34684213  0.48265729  1
  C  C78  1  0.96268359  0.64882761  0.57423892  1
  C  C79  1  0.03730744  0.35117336  0.42576423  1
  C  C80  1  0.99043892  0.53889739  0.63990601  1
  C  C81  1  0.00956133  0.46110225  0.36009583  1
  N  N82  1  0.74348153  0.06606112  0.00915015  1
  N  N83  1  0.25654665  0.93404515  0.99081735  1
  N  N84  1  0.64948093  0.09292664  0.91145358  1
  N  N85  1  0.35052940  0.90707609  0.08854168  1
  N  N86  1  0.00672717  1.00658402  0.82830698  1
  N  N87  1  0.99334873  -0.00653938  0.17166565  1
  N  N88  1  0.07084083  0.08091006  0.74322247  1
  N  N89  1  0.92914119  0.91913049  0.25675387  1
  N  N90  1  0.46435050  0.51411420  0.33576564  1
  N  N91  1  0.53564484  0.48589258  0.66423772  1
  N  N92  1  0.38697566  0.61477908  0.26306753  1
  N  N93  1  0.61301019  0.38522562  0.73693736  1
  N  N94  1  0.25164501  0.54894237  0.54630596  1
  N  N95  1  0.74834993  0.45106729  0.45369611  1
  N  N96  1  0.16487198  0.48067258  0.62474172  1
  N  N97  1  0.83512887  0.51933251  0.37525855  1
  O  O98  1  0.98076656  0.20920523  0.97359502  1
  O  O99  1  0.01920965  0.79080534  0.02640073  1
  O  O100  1  0.12960773  0.26818409  0.80083758  1
  O  O101  1  0.87040885  0.73182249  0.19915793  1
  O  O102  1  0.46053788  0.30286392  0.53640267  1
  O  O103  1  0.53945111  0.69713749  0.46359773  1
  O  O104  1  0.65135557  0.17866437  0.66330942  1
  O  O105  1  0.34864203  0.82133879  0.33668751  1
