# generated using pymatgen
data_FeCo2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86916099
_cell_length_b   10.86438112
_cell_length_c   10.85601908
_cell_angle_alpha   89.26210449
_cell_angle_beta   89.05267667
_cell_angle_gamma   63.76899936
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2H8C14(NO)6
_chemical_formula_sum   'Fe2 Co4 H16 C28 N12 O12'
_cell_volume   1149.75599850
_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  0.90819676  0.09275392  0.25174980  1
  Co  Co1  1  0.09180269  0.90724831  0.74824864  1
  Fe  Fe2  1  0.85491853  0.99483091  -0.00473514  1
  Co  Co3  1  0.01143284  0.14490976  0.50431979  1
  Fe  Fe4  1  0.14508375  0.00516545  1.00473460  1
  Co  Co5  1  0.98856405  0.85509487  0.49568050  1
  H  H6  1  0.53711396  0.16773147  0.41436255  1
  H  H7  1  0.83115963  0.46381461  0.08726523  1
  H  H8  1  0.46288819  0.83225802  0.58564186  1
  H  H9  1  0.16884563  0.53618701  0.91273141  1
  H  H10  1  0.33278961  0.15509298  0.51307143  1
  H  H11  1  0.84328770  0.66847894  0.98921782  1
  H  H12  1  0.66720592  0.84490592  0.48692930  1
  H  H13  1  0.15671920  0.33152274  0.01078114  1
  H  H14  1  0.42503496  0.07361318  0.05813858  1
  H  H15  1  0.92993219  0.57412454  0.44240235  1
  H  H16  1  0.57496839  0.92638402  0.94186314  1
  H  H17  1  0.07005987  0.42588117  0.55759827  1
  H  H18  1  0.87764277  0.21427347  0.04681277  1
  H  H19  1  0.78977257  0.12315847  0.45552406  1
  H  H20  1  0.12235754  0.78572775  0.95318482  1
  H  H21  1  0.21022429  0.87684618  0.54447379  1
  C  C22  1  0.62450187  0.11720625  0.17587264  1
  C  C23  1  0.88372175  0.37531768  0.32523167  1
  C  C24  1  0.37550179  0.88278232  0.82413050  1
  C  C25  1  0.11627446  0.62468710  0.67476581  1
  C  C26  1  0.49674558  0.11770527  0.23102891  1
  C  C27  1  0.88365471  0.50304122  0.27018788  1
  C  C28  1  0.50325773  0.88228615  0.76897482  1
  C  C29  1  0.11634422  0.49696323  0.72981029  1
  C  C30  1  0.46798178  0.14360468  0.35870240  1
  C  C31  1  0.85633464  0.53229836  0.14291075  1
  C  C32  1  0.53201918  0.85638751  0.64130140  1
  C  C33  1  0.14366857  0.46770435  0.85708678  1
  C  C34  1  0.35441385  0.13766634  0.41481617  1
  C  C35  1  0.86198356  0.64597888  0.08716605  1
  C  C36  1  0.64558354  0.86233018  0.58518491  1
  C  C37  1  0.13802179  0.35402291  0.91283270  1
  C  C38  1  0.26791513  0.10719804  0.34043082  1
  C  C39  1  0.89418541  0.73133526  0.16194706  1
  C  C40  1  0.73208233  0.89280010  0.65956817  1
  C  C41  1  0.10581931  0.26866624  0.83805227  1
  C  C42  1  0.29468638  0.08421794  0.21367787  1
  C  C43  1  0.91848221  0.70486129  0.28834104  1
  C  C44  1  0.70531409  0.91577912  0.78632159  1
  C  C45  1  0.08151554  0.29514299  0.71165963  1
  C  C46  1  0.40790008  0.09038903  0.15674127  1
  C  C47  1  0.91216559  0.59133988  0.34423923  1
  C  C48  1  0.59210312  0.90960564  0.84326056  1
  C  C49  1  0.08783051  0.40866552  0.65576090  1
  N  N50  1  0.15169195  0.09014541  0.36608387  1
  N  N51  1  0.91066258  0.84720955  0.13646429  1
  N  N52  1  0.84830176  0.90985945  0.63391416  1
  N  N53  1  0.08935154  0.15278622  0.86353446  1
  N  N54  1  0.10924926  0.05731486  0.26258148  1
  N  N55  1  0.94428630  0.89008939  0.24002017  1
  N  N56  1  0.89074330  0.94269271  0.73741618  1
  N  N57  1  0.05571865  0.10991064  0.75998068  1
  N  N58  1  0.19252107  0.05531241  0.16899419  1
  N  N59  1  0.94810717  0.80675535  0.33347318  1
  N  N60  1  0.80747552  0.94469033  0.83100450  1
  N  N61  1  0.05189006  0.19324831  0.66652871  1
  O  O62  1  0.93164158  0.11651457  0.06074639  1
  O  O63  1  0.88753551  0.07036293  0.43942757  1
  O  O64  1  0.06835823  0.88348634  0.93925058  1
  O  O65  1  0.11246151  0.92964175  0.56057215  1
  O  O66  1  0.69732705  0.14802703  0.24797034  1
  O  O67  1  0.85263136  0.30256138  0.25298602  1
  O  O68  1  0.30267343  0.85196762  0.75203081  1
  O  O69  1  0.14736464  0.69744307  0.74701215  1
  O  O70  1  0.65097092  0.08408074  0.06243589  1
  O  O71  1  0.91591972  0.34997977  0.43861024  1
  O  O72  1  0.34903321  0.91590219  0.93756805  1
  O  O73  1  0.08407441  0.65002362  0.56138759  1
