# generated using pymatgen
data_FeCo2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86977173
_cell_length_b   10.86368262
_cell_length_c   10.85595719
_cell_angle_alpha   89.25745690
_cell_angle_beta   89.05784600
_cell_angle_gamma   63.76900378
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2H8C14(NO)6
_chemical_formula_sum   'Fe2 Co4 H16 C28 N12 O12'
_cell_volume   1149.74090388
_cell_formula_units_Z   2
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  0.90773910  0.09210454  0.24835865  1
  Co  Co1  1  0.09226673  0.90789407  0.75163965  1
  Co  Co2  1  0.85522744  0.98834283  -0.00431448  1
  Fe  Fe3  1  0.00506608  0.14543439  0.50468406  1
  Co  Co4  1  0.14477520  0.01165535  1.00431315  1
  Fe  Fe5  1  0.99492984  0.85457013  0.49531598  1
  H  H6  1  0.53674639  0.16759308  0.41385369  1
  H  H7  1  0.83101525  0.46346398  0.08675723  1
  H  H8  1  0.46325577  0.83239657  0.58615158  1
  H  H9  1  0.16899003  0.53653759  0.91323962  1
  H  H10  1  0.33218163  0.15462541  0.51166328  1
  H  H11  1  0.84281843  0.66788182  0.98787013  1
  H  H12  1  0.66781301  0.84537312  0.48833651  1
  H  H13  1  0.15718863  0.33211964  0.01212920  1
  H  H14  1  0.42576279  0.07368976  0.05710127  1
  H  H15  1  0.93002538  0.57492950  0.44138285  1
  H  H16  1  0.57424150  0.92630971  0.94290081  1
  H  H17  1  0.06996689  0.42507660  0.55861826  1
  H  H18  1  0.87680921  0.21049184  0.04481273  1
  H  H19  1  0.78603539  0.12229691  0.45348139  1
  H  H20  1  0.12319151  0.78950990  0.95518510  1
  H  H21  1  0.21396096  0.87770762  0.54651628  1
  C  C22  1  0.62509286  0.11696378  0.17522147  1
  C  C23  1  0.88347402  0.37584543  0.32460038  1
  C  C24  1  0.37491074  0.88302468  0.82478163  1
  C  C25  1  0.11652204  0.62415906  0.67539743  1
  C  C26  1  0.49712702  0.11728037  0.23015794  1
  C  C27  1  0.88322827  0.50339929  0.26936459  1
  C  C28  1  0.50287608  0.88271102  0.76984655  1
  C  C29  1  0.11677077  0.49660501  0.73063415  1
  C  C30  1  0.46806393  0.14327340  0.35781765  1
  C  C31  1  0.85600154  0.53238337  0.14206199  1
  C  C32  1  0.53193746  0.85671893  0.64218642  1
  C  C33  1  0.14400182  0.46761909  0.85793601  1
  C  C34  1  0.35442828  0.13713794  0.41340712  1
  C  C35  1  0.86145997  0.64599785  0.08582168  1
  C  C36  1  0.64556903  0.86285836  0.58659304  1
  C  C37  1  0.13854562  0.35400372  0.91417743  1
  C  C38  1  0.26893595  0.10593430  0.33810405  1
  C  C39  1  0.89294477  0.73233742  0.15970405  1
  C  C40  1  0.73106172  0.89406342  0.66189390  1
  C  C41  1  0.10706034  0.26766375  0.84029563  1
  C  C42  1  0.29497766  0.08332379  0.21129183  1
  C  C43  1  0.91762969  0.70517471  0.28603796  1
  C  C44  1  0.70502256  0.91667246  0.78870667  1
  C  C45  1  0.08236869  0.29482953  0.71396271  1
  C  C46  1  0.40849684  0.09011960  0.15555277  1
  C  C47  1  0.91192765  0.59196425  0.34307237  1
  C  C48  1  0.59150643  0.90987550  0.84444974  1
  C  C49  1  0.08806860  0.40804126  0.65692805  1
  N  N50  1  0.15334702  0.08884454  0.36354027  1
  N  N51  1  0.90949502  0.84876230  0.13388736  1
  N  N52  1  0.84664624  0.91116019  0.63645746  1
  N  N53  1  0.09051590  0.15123482  0.86611123  1
  N  N54  1  0.11004344  0.05677858  0.25943447  1
  N  N55  1  0.94367529  0.89100139  0.23687920  1
  N  N56  1  0.88994546  0.94323128  0.74056345  1
  N  N57  1  0.05632919  0.10899912  0.76312102  1
  N  N58  1  0.19292525  0.05430383  0.16579358  1
  N  N59  1  0.94724843  0.80720948  0.33028412  1
  N  N60  1  0.80707029  0.94569770  0.83420599  1
  N  N61  1  0.05274923  0.19279417  0.66971722  1
  O  O62  1  0.92952011  0.11273238  0.06061205  1
  O  O63  1  0.88377768  0.06809301  0.43935531  1
  O  O64  1  0.07048049  0.88726903  0.93938421  1
  O  O65  1  0.11621918  0.93191193  0.56064483  1
  O  O66  1  0.69803003  0.14718189  0.24780845  1
  O  O67  1  0.85180166  0.30323985  0.25281114  1
  O  O68  1  0.30197094  0.85281281  0.75219174  1
  O  O69  1  0.14819473  0.69676423  0.74718679  1
  O  O70  1  0.65045156  0.08535145  0.06151818  1
  O  O71  1  0.91717206  0.34938911  0.43768624  1
  O  O72  1  0.34955217  0.91463024  0.93848587  1
  O  O73  1  0.08282157  0.65061385  0.56231202  1
