# generated using pymatgen
data_FeCo2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88189738
_cell_length_b   10.87633424
_cell_length_c   10.86667812
_cell_angle_alpha   89.23380611
_cell_angle_beta   89.03003111
_cell_angle_gamma   63.73149518
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2H8C14(NO)6
_chemical_formula_sum   'Fe2 Co4 H16 C28 N12 O12'
_cell_volume   1153.11872495
_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
  Fe  Fe0  1  0.89758122  0.10272068  0.25018102  1
  Fe  Fe1  1  0.10242030  0.89728003  0.74981710  1
  Co  Co2  1  0.85899175  0.98415511  -0.00543673  1
  Co  Co3  1  0.01591114  0.14131958  0.50530315  1
  Co  Co4  1  0.14101037  0.01584204  1.00543662  1
  Co  Co5  1  0.98408498  0.85868628  0.49469554  1
  H  H6  1  0.53677192  0.16805347  0.41316934  1
  H  H7  1  0.83076506  0.46367061  0.08788331  1
  H  H8  1  0.46323094  0.83193593  0.58683318  1
  H  H9  1  0.16923935  0.53633014  0.91211339  1
  H  H10  1  0.33218695  0.15615868  0.51115809  1
  H  H11  1  0.84204395  0.66814422  0.98961697  1
  H  H12  1  0.66781159  0.84383948  0.48884324  1
  H  H13  1  0.15796427  0.33185477  0.01038065  1
  H  H14  1  0.42442834  0.07485431  0.05716376  1
  H  H15  1  0.92860948  0.57567936  0.44228579  1
  H  H16  1  0.57557016  0.92514251  0.94283904  1
  H  H17  1  0.07138230  0.42432676  0.55771410  1
  H  H18  1  0.87568442  0.21058542  0.03487832  1
  H  H19  1  0.78967102  0.12415674  0.46571927  1
  H  H20  1  0.12431744  0.78941491  0.96511922  1
  H  H21  1  0.21032683  0.87584726  0.53427648  1
  C  C22  1  0.62242751  0.11862349  0.17330569  1
  C  C23  1  0.88222208  0.37798087  0.32729439  1
  C  C24  1  0.37757586  0.88136736  0.82669728  1
  C  C25  1  0.11777360  0.62202336  0.67270544  1
  C  C26  1  0.49604432  0.11805055  0.22976396  1
  C  C27  1  0.88267764  0.50422761  0.27063164  1
  C  C28  1  0.50395662  0.88194225  0.77023746  1
  C  C29  1  0.11731967  0.49577664  0.72936697  1
  C  C30  1  0.46793778  0.14372164  0.35749900  1
  C  C31  1  0.85575122  0.53242924  0.14322576  1
  C  C32  1  0.53206440  0.85627031  0.64250259  1
  C  C33  1  0.14425115  0.46757234  0.85677162  1
  C  C34  1  0.35416744  0.13820562  0.41314905  1
  C  C35  1  0.86087202  0.64618423  0.08738489  1
  C  C36  1  0.64583308  0.86179071  0.58685279  1
  C  C37  1  0.13913350  0.35381604  0.91261323  1
  C  C38  1  0.26774769  0.10820308  0.33859554  1
  C  C39  1  0.89181785  0.73256815  0.16135877  1
  C  C40  1  0.73224975  0.89179635  0.66140678  1
  C  C41  1  0.10818799  0.26743185  0.83863933  1
  C  C42  1  0.29450392  0.08435618  0.21193152  1
  C  C43  1  0.91735982  0.70540781  0.28756913  1
  C  C44  1  0.70549491  0.91564127  0.78807148  1
  C  C45  1  0.08263927  0.29459430  0.71242992  1
  C  C46  1  0.40752128  0.09091315  0.15564762  1
  C  C47  1  0.91111991  0.59251388  0.34410933  1
  C  C48  1  0.59247767  0.90908202  0.84435475  1
  C  C49  1  0.08887508  0.40749059  0.65589004  1
  N  N50  1  0.15469129  0.08649997  0.36445658  1
  N  N51  1  0.91295578  0.84589850  0.13532851  1
  N  N52  1  0.84530282  0.91350600  0.63554333  1
  N  N53  1  0.08705427  0.15409859  0.86466925  1
  N  N54  1  0.11945777  0.04307274  0.26263300  1
  N  N55  1  0.95788859  0.88071916  0.23639629  1
  N  N56  1  0.88053399  0.95693647  0.73736509  1
  N  N57  1  0.04211465  0.11928162  0.76360347  1
  N  N58  1  0.19646892  0.04908269  0.16767512  1
  N  N59  1  0.95354887  0.80320440  0.33133490  1
  N  N60  1  0.80352718  0.95092076  0.83232528  1
  N  N61  1  0.04645086  0.19679758  0.66866477  1
  O  O62  1  0.92641871  0.11579284  0.06177190  1
  O  O63  1  0.88444354  0.07340674  0.43843631  1
  O  O64  1  0.07358201  0.88420754  0.93822536  1
  O  O65  1  0.11555446  0.92659725  0.56156227  1
  O  O66  1  0.69282274  0.15275938  0.24523236  1
  O  O67  1  0.84725129  0.30764148  0.25591313  1
  O  O68  1  0.30717985  0.84723418  0.75477033  1
  O  O69  1  0.15274568  0.69236125  0.74408639  1
  O  O70  1  0.65026138  0.08371841  0.06090830  1
  O  O71  1  0.91805550  0.35015967  0.43925919  1
  O  O72  1  0.34974481  0.91627060  0.93909648  1
  O  O73  1  0.08193873  0.64984571  0.56073997  1
