# generated using pymatgen
data_Fe2CoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88822777
_cell_length_b   10.88457141
_cell_length_c   10.87695257
_cell_angle_alpha   89.23483623
_cell_angle_beta   89.01492633
_cell_angle_gamma   63.69727780
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoH8C14(NO)6
_chemical_formula_sum   'Fe4 Co2 H16 C28 N12 O12'
_cell_volume   1155.41021643
_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  0.90044611  0.10100012  0.25257444  1
  Fe  Fe1  1  0.09955155  0.89900268  0.74742368  1
  Fe  Fe2  1  0.85691017  0.99424581  -0.00322013  1
  Co  Co3  1  0.01506572  0.14199572  0.50484331  1
  Fe  Fe4  1  0.14309240  0.00575151  1.00322095  1
  Co  Co5  1  0.98493072  0.85800948  0.49515710  1
  H  H6  1  0.53765169  0.16878071  0.41418627  1
  H  H7  1  0.83047785  0.46337868  0.08880982  1
  H  H8  1  0.46235138  0.83120904  0.58581758  1
  H  H9  1  0.16952623  0.53662286  0.91118606  1
  H  H10  1  0.33358060  0.15686580  0.51320257  1
  H  H11  1  0.84241865  0.66773732  0.99050429  1
  H  H12  1  0.66641717  0.84313214  0.48679874  1
  H  H13  1  0.15758990  0.33226303  0.00949312  1
  H  H14  1  0.42532229  0.07522855  0.05902292  1
  H  H15  1  0.92725768  0.57435295  0.44341864  1
  H  H16  1  0.57467951  0.92476596  0.94097951  1
  H  H17  1  0.07273276  0.42565268  0.55658156  1
  H  H18  1  0.88196520  0.21700348  0.03843303  1
  H  H19  1  0.78925475  0.12421070  0.46843894  1
  H  H20  1  0.11803611  0.78299588  0.96156261  1
  H  H21  1  0.21074271  0.87579350  0.53155987  1
  C  C22  1  0.62363213  0.11892428  0.17481827  1
  C  C23  1  0.88212473  0.37672712  0.32723332  1
  C  C24  1  0.37636972  0.88106782  0.82518360  1
  C  C25  1  0.11787057  0.62327792  0.67276394  1
  C  C26  1  0.49672698  0.11950617  0.23104905  1
  C  C27  1  0.88210108  0.50355504  0.27139150  1
  C  C28  1  0.50327563  0.88048625  0.76895478  1
  C  C29  1  0.11789615  0.49644932  0.72860656  1
  C  C30  1  0.46845444  0.14500942  0.35876083  1
  C  C31  1  0.85546475  0.53193300  0.14412058  1
  C  C32  1  0.53154707  0.85498310  0.64124196  1
  C  C33  1  0.14453735  0.46806941  0.85587665  1
  C  C34  1  0.35492479  0.13938980  0.41502812  1
  C  C35  1  0.86106409  0.64537190  0.08819667  1
  C  C36  1  0.64507396  0.86060650  0.58497362  1
  C  C37  1  0.13894172  0.35462844  0.91180111  1
  C  C38  1  0.26855012  0.10898231  0.34089744  1
  C  C39  1  0.89320313  0.73041743  0.16252406  1
  C  C40  1  0.73144802  0.89101701  0.65910299  1
  C  C41  1  0.10680276  0.26958180  0.83747496  1
  C  C42  1  0.29528010  0.08575850  0.21442340  1
  C  C43  1  0.91822458  0.70405252  0.28873747  1
  C  C44  1  0.70471944  0.91423944  0.78557746  1
  C  C45  1  0.08177384  0.29595076  0.71126305  1
  C  C46  1  0.40786638  0.09203715  0.15736848  1
  C  C47  1  0.91064702  0.59160359  0.34518771  1
  C  C48  1  0.59213582  0.90795751  0.84263330  1
  C  C49  1  0.08934740  0.40840174  0.65481194  1
  N  N50  1  0.15546428  0.08674194  0.36681162  1
  N  N51  1  0.91401289  0.84334065  0.13569753  1
  N  N52  1  0.84452932  0.91326304  0.63318721  1
  N  N53  1  0.08599960  0.15665431  0.86430118  1
  N  N54  1  0.11973367  0.04449557  0.26518113  1
  N  N55  1  0.95735919  0.87980155  0.23668532  1
  N  N56  1  0.88025921  0.95551211  0.73481692  1
  N  N57  1  0.04264823  0.12019684  0.76331515  1
  N  N58  1  0.19760603  0.04977856  0.17059265  1
  N  N59  1  0.95465355  0.80220433  0.33175135  1
  N  N60  1  0.80239114  0.95022411  0.82940685  1
  N  N61  1  0.04534617  0.19779769  0.66824977  1
  O  O62  1  0.93010604  0.12038068  0.06051022  1
  O  O63  1  0.88368111  0.07358009  0.44048270  1
  O  O64  1  0.06989420  0.87961938  0.93948697  1
  O  O65  1  0.11631680  0.92642418  0.55951722  1
  O  O66  1  0.69422640  0.15363502  0.24565751  1
  O  O67  1  0.84885219  0.30571131  0.25520631  1
  O  O68  1  0.30577532  0.84635910  0.75434541  1
  O  O69  1  0.15114367  0.69429265  0.74479180  1
  O  O70  1  0.65308084  0.08162641  0.06297560  1
  O  O71  1  0.91699025  0.34874916  0.43932128  1
  O  O72  1  0.34692248  0.91836382  0.93702848  1
  O  O73  1  0.08300302  0.65125648  0.56067654  1
