# generated using pymatgen
data_FeCoH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05139921
_cell_length_b   12.23638925
_cell_length_c   11.34874690
_cell_angle_alpha   79.69386302
_cell_angle_beta   80.89607102
_cell_angle_gamma   70.71044147
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoH40C40(N2O)8
_chemical_formula_sum   'Fe1 Co1 H40 C40 N16 O8'
_cell_volume   1032.35289994
_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  0.00000133  -0.00000050  -0.00000170  1
  Co  Co1  1  0.49999491  0.50029840  0.49999142  1
  H  H2  1  0.23701297  0.43707064  0.83506902  1
  H  H3  1  0.76299010  0.56292546  0.16493512  1
  H  H4  1  0.81425084  0.37380234  0.09193563  1
  H  H5  1  0.18575060  0.62619419  0.90806822  1
  H  H6  1  0.70541368  0.09843188  0.82348346  1
  H  H7  1  0.29458059  0.90157095  0.17650995  1
  H  H8  1  0.65871179  0.09975040  0.19170041  1
  H  H9  1  0.34129052  0.90025010  0.80829619  1
  H  H10  1  0.33714879  0.20928176  0.11707909  1
  H  H11  1  0.66285227  0.79071635  0.88291785  1
  H  H12  1  0.37667057  0.18806646  0.87947441  1
  H  H13  1  0.62333200  0.81193012  0.12052199  1
  H  H14  1  0.09505704  0.15581976  0.76147719  1
  H  H15  1  0.90494306  0.84418258  0.23852671  1
  H  H16  1  0.97603078  0.84018980  0.81747801  1
  H  H17  1  0.02397854  0.15980914  0.18251300  1
  H  H18  1  0.09018740  0.87881983  0.58170849  1
  H  H19  1  0.90982669  0.12118581  0.41828530  1
  H  H20  1  0.14867294  0.08697883  0.54980988  1
  H  H21  1  0.85133692  0.91302799  0.45019202  1
  H  H22  1  0.42569147  0.19462435  0.37480129  1
  H  H23  1  0.57430770  0.80537653  0.62519394  1
  H  H24  1  0.62329296  0.97268685  0.69453368  1
  H  H25  1  0.37671133  0.02731216  0.30545760  1
  H  H26  1  0.36992062  0.69747324  0.28940803  1
  H  H27  1  0.63006246  0.30252707  0.71059089  1
  H  H28  1  0.55842546  0.33423852  0.30634713  1
  H  H29  1  0.44156950  0.66576544  0.69366136  1
  H  H30  1  0.42403407  0.41878234  0.09250781  1
  H  H31  1  0.57597596  0.58121217  0.90749556  1
  H  H32  1  0.31147534  0.65373227  0.08474957  1
  H  H33  1  0.68852063  0.34626085  0.91526023  1
  H  H34  1  0.22459807  0.39114420  0.63615730  1
  H  H35  1  0.77543297  0.60885275  0.36383089  1
  H  H36  1  0.15846220  0.72486164  0.45773150  1
  H  H37  1  0.84150964  0.27514310  0.54227145  1
  H  H38  1  0.83702805  0.71634716  0.56484002  1
  H  H39  1  0.16294957  0.28363748  0.43517956  1
  H  H40  1  0.89572205  0.50124567  0.69369546  1
  H  H41  1  0.10429943  0.49873607  0.30631342  1
  C  C42  1  0.04852760  0.27998272  0.90858633  1
  C  C43  1  0.95147319  0.72001537  0.09141489  1
  C  C44  1  0.02642303  0.39252661  0.95664140  1
  C  C45  1  0.97357819  0.60747024  0.04336184  1
  C  C46  1  0.13157766  0.46430531  0.90709325  1
  C  C47  1  0.86842466  0.53569107  0.09291047  1
  C  C48  1  0.89607500  0.42918422  0.05133633  1
  C  C49  1  0.10392720  0.57081176  0.94866714  1
  C  C50  1  0.62426950  0.10983376  0.10133673  1
  C  C51  1  0.37573239  0.89016524  0.89865983  1
  C  C52  1  0.45756824  0.16524375  0.06307869  1
  C  C53  1  0.54243379  0.83475369  0.93691805  1
  C  C54  1  0.47614852  0.15582112  0.94201015  1
  C  C55  1  0.52385335  0.84417510  0.05798753  1
  C  C56  1  0.01240451  0.91552882  0.77094446  1
  C  C57  1  0.98760408  0.08447096  0.22905047  1
  C  C58  1  0.07028036  0.93587205  0.64985304  1
  C  C59  1  0.92973066  0.06413207  0.35014222  1
  C  C60  1  0.10438299  0.04137437  0.63334843  1
  C  C61  1  0.89562378  0.95863016  0.36665204  1
  C  C62  1  0.54267594  0.20005429  0.58454198  1
  C  C63  1  0.45731776  0.79993359  0.41546646  1
  C  C64  1  0.52286691  0.09634952  0.54097242  1
  C  C65  1  0.47713363  0.90364149  0.45902329  1
  C  C66  1  0.45545954  0.10949549  0.43097547  1
  C  C67  1  0.54454304  0.89050104  0.56901637  1
  C  C68  1  0.56832424  0.98540674  0.60931607  1
  C  C69  1  0.43167883  0.01458815  0.39067748  1
  C  C70  1  0.49302340  0.42459942  0.27274115  1
  C  C71  1  0.50696915  0.57539192  0.72724943  1
  C  C72  1  0.43047986  0.46868605  0.16131939  1
  C  C73  1  0.56952180  0.53131023  0.83867789  1
  C  C74  1  0.36821146  0.58885982  0.15808015  1
  C  C75  1  0.63178625  0.41113471  0.84192752  1
  C  C76  1  0.12877040  0.65305153  0.51810348  1
  C  C77  1  0.87120848  0.34694841  0.48189230  1
  C  C78  1  0.96430794  0.64923439  0.57546904  1
  C  C79  1  0.03567775  0.35075672  0.42454169  1
  C  C80  1  0.99183037  0.53889500  0.63987763  1
  C  C81  1  0.00818180  0.46109424  0.36012470  1
  N  N82  1  0.74207189  0.06833790  0.00773103  1
  N  N83  1  0.25792997  0.93166054  0.99226561  1
  N  N84  1  0.64623397  0.09514532  0.91063567  1
  N  N85  1  0.35376861  0.90485184  0.08936226  1
  N  N86  1  0.01126986  1.00503272  0.82707313  1
  N  N87  1  0.98873385  -0.00503378  0.17292476  1
  N  N88  1  0.06934099  0.08194418  0.73986984  1
  N  N89  1  0.93066131  0.91805780  0.26013152  1
  N  N90  1  0.46629912  0.51439566  0.33586043  1
  N  N91  1  0.53368775  0.48556179  0.66415827  1
  N  N92  1  0.38799209  0.61427090  0.26457967  1
  N  N93  1  0.61199084  0.38571900  0.73543003  1
  N  N94  1  0.25166404  0.54808410  0.54521128  1
  N  N95  1  0.74831628  0.45191229  0.45476179  1
  N  N96  1  0.16599262  0.48011308  0.62280058  1
  N  N97  1  0.83402276  0.51988442  0.37718210  1
  O  O98  1  0.98724141  0.20420575  0.97623738  1
  O  O99  1  0.01275871  0.79579159  0.02376323  1
  O  O100  1  0.12580454  0.26928457  0.80199290  1
  O  O101  1  0.87419696  0.73071404  0.19800951  1
  O  O102  1  0.45153268  0.30080852  0.54017803  1
  O  O103  1  0.54846172  0.69915837  0.45984373  1
  O  O104  1  0.65203661  0.17917440  0.66213267  1
  O  O105  1  0.34797456  0.82080584  0.33788027  1
