# generated using pymatgen
data_Fe2CoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88218300
_cell_length_b   10.87631787
_cell_length_c   10.89254675
_cell_angle_alpha   89.20651719
_cell_angle_beta   89.00580026
_cell_angle_gamma   63.71222265
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoH8C14(NO)6
_chemical_formula_sum   'Fe4 Co2 H16 C28 N12 O12'
_cell_volume   1155.68956918
_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  0.91198719  0.08820937  0.25028483  1
  Co  Co1  1  0.08802973  0.91178356  0.74971499  1
  Fe  Fe2  1  0.85570521  0.99608993  -0.00472379  1
  Fe  Fe3  1  0.00465365  0.14449412  0.50436286  1
  Fe  Fe4  1  0.14429708  0.00390761  1.00472268  1
  Fe  Fe5  1  0.99534080  0.85551210  0.49563778  1
  H  H6  1  0.53834340  0.16917788  0.41359867  1
  H  H7  1  0.82965137  0.46199712  0.08764037  1
  H  H8  1  0.46165990  0.83081142  0.58640427  1
  H  H9  1  0.17035281  0.53800419  0.91235749  1
  H  H10  1  0.33386547  0.15683269  0.51162960  1
  H  H11  1  0.84130702  0.66637213  0.98915876  1
  H  H12  1  0.66613373  0.84316436  0.48837137  1
  H  H13  1  0.15870231  0.33362644  0.01083920  1
  H  H14  1  0.42612400  0.07635656  0.05837482  1
  H  H15  1  0.92692807  0.57419998  0.44122565  1
  H  H16  1  0.57387568  0.92363899  0.94162789  1
  H  H17  1  0.07306225  0.42580644  0.55877506  1
  H  H18  1  0.88235372  0.21795633  0.04993458  1
  H  H19  1  0.78234690  0.11764081  0.45105234  1
  H  H20  1  0.11764508  0.78204414  0.95006312  1
  H  H21  1  0.21765105  0.88236330  0.54894264  1
  C  C22  1  0.62614867  0.11756223  0.17583441  1
  C  C23  1  0.88335875  0.37421155  0.32475233  1
  C  C24  1  0.37385286  0.88242827  0.82416841  1
  C  C25  1  0.11663784  0.62579319  0.67524653  1
  C  C26  1  0.49836912  0.11852408  0.23092447  1
  C  C27  1  0.88228912  0.50186165  0.26946595  1
  C  C28  1  0.50163143  0.88146800  0.76907740  1
  C  C29  1  0.11770851  0.49814249  0.73053340  1
  C  C30  1  0.46962862  0.14448177  0.35820441  1
  C  C31  1  0.85500425  0.53069492  0.14256926  1
  C  C32  1  0.53037359  0.85551026  0.64179742  1
  C  C33  1  0.14499795  0.46930669  0.85742913  1
  C  C34  1  0.35606040  0.13848130  0.41386006  1
  C  C35  1  0.86053772  0.64428011  0.08670388  1
  C  C36  1  0.64393939  0.86151472  0.58614144  1
  C  C37  1  0.13946858  0.35571986  0.91329368  1
  C  C38  1  0.27049940  0.10688547  0.33965121  1
  C  C39  1  0.89304754  0.72984937  0.16024485  1
  C  C40  1  0.72949757  0.89311386  0.66034964  1
  C  C41  1  0.10695868  0.27015038  0.83975404  1
  C  C42  1  0.29684099  0.08419189  0.21347656  1
  C  C43  1  0.91784584  0.70294721  0.28598017  1
  C  C44  1  0.70315518  0.91580646  0.78652536  1
  C  C45  1  0.08215403  0.29705548  0.71401975  1
  C  C46  1  0.40937725  0.09164098  0.15673514  1
  C  C47  1  0.91049445  0.59067819  0.34302480  1
  C  C48  1  0.59062164  0.90835393  0.84326585  1
  C  C49  1  0.08949992  0.40932660  0.65697443  1
  N  N50  1  0.15694546  0.08625024  0.36626221  1
  N  N51  1  0.91296595  0.84373128  0.13333874  1
  N  N52  1  0.84304811  0.91375563  0.63373826  1
  N  N53  1  0.08704269  0.15626727  0.86665950  1
  N  N54  1  0.11727569  0.04886990  0.26383201  1
  N  N55  1  0.95214834  0.88296609  0.23514815  1
  N  N56  1  0.88271299  0.95114168  0.73616689  1
  N  N57  1  0.04785700  0.11703408  0.76485095  1
  N  N58  1  0.19743423  0.05093178  0.16946819  1
  N  N59  1  0.95300042  0.80165212  0.32913789  1
  N  N60  1  0.80255964  0.94907267  0.83053114  1
  N  N61  1  0.04699725  0.19835221  0.67086238  1
  O  O62  1  0.93230483  0.11898608  0.05979214  1
  O  O63  1  0.88128752  0.06751855  0.44094682  1
  O  O64  1  0.06769671  0.88101383  0.94020318  1
  O  O65  1  0.11871094  0.93248542  0.55905331  1
  O  O66  1  0.69953597  0.14827195  0.24708646  1
  O  O67  1  0.85155191  0.30099993  0.25412662  1
  O  O68  1  0.30046767  0.85171855  0.75291620  1
  O  O69  1  0.14844340  0.69900626  0.74587226  1
  O  O70  1  0.65290456  0.08397854  0.06300404  1
  O  O71  1  0.91803927  0.34731118  0.43711481  1
  O  O72  1  0.34709758  0.91601228  0.93699840  1
  O  O73  1  0.08195661  0.65269488  0.56288468  1
