# generated using pymatgen
data_CrFeCoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86776866
_cell_length_b   10.86615216
_cell_length_c   10.86658429
_cell_angle_alpha   89.21562356
_cell_angle_beta   88.98017730
_cell_angle_gamma   63.74077668
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeCoH8C14(NO)6
_chemical_formula_sum   'Cr2 Fe2 Co2 H16 C28 N12 O12'
_cell_volume   1150.60863841
_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  0.91952358  0.08351878  0.25310515  1
  Co  Co1  1  0.08047303  0.91648606  0.74689418  1
  Cr  Cr2  1  0.85686997  0.98927366  -0.00227686  1
  Fe  Fe3  1  0.00546689  0.14493951  0.50339712  1
  Cr  Cr4  1  0.14313192  0.01072344  1.00227587  1
  Fe  Fe5  1  0.99453042  0.85506577  0.49660320  1
  H  H6  1  0.53901638  0.16802729  0.41184268  1
  H  H7  1  0.82996827  0.46376212  0.08618392  1
  H  H8  1  0.46098599  0.83196206  0.58816160  1
  H  H9  1  0.17003673  0.53623879  0.91381253  1
  H  H10  1  0.33505234  0.15523070  0.50885853  1
  H  H11  1  0.84176820  0.66738460  0.98684113  1
  H  H12  1  0.66494419  0.84476748  0.49114301  1
  H  H13  1  0.15823929  0.33261572  0.01315671  1
  H  H14  1  0.42680576  0.07568520  0.05458763  1
  H  H15  1  0.92901318  0.57592695  0.43953316  1
  H  H16  1  0.57319588  0.92431058  0.94541395  1
  H  H17  1  0.07097909  0.42407836  0.56046757  1
  H  H18  1  0.88791217  0.20854920  0.04813309  1
  H  H19  1  0.78137825  0.12227843  0.45503845  1
  H  H20  1  0.11208961  0.79144888  0.95186351  1
  H  H21  1  0.21861992  0.87772581  0.54495763  1
  C  C22  1  0.63043278  0.11512437  0.17423016  1
  C  C23  1  0.88375930  0.37503722  0.32351481  1
  C  C24  1  0.36956912  0.88486839  0.82577341  1
  C  C25  1  0.11623715  0.62496622  0.67648328  1
  C  C26  1  0.50152306  0.11637573  0.22748401  1
  C  C27  1  0.88284322  0.50321194  0.26836322  1
  C  C28  1  0.49847876  0.88361646  0.77251858  1
  C  C29  1  0.11715502  0.49679152  0.73163557  1
  C  C30  1  0.47158023  0.14270777  0.35530809  1
  C  C31  1  0.85548233  0.53222446  0.14133600  1
  C  C32  1  0.52842183  0.85728453  0.64469485  1
  C  C33  1  0.14452041  0.46777726  0.85866210  1
  C  C34  1  0.35782888  0.13676448  0.41093403  1
  C  C35  1  0.86059626  0.64618260  0.08481638  1
  C  C36  1  0.64217047  0.86323197  0.58906800  1
  C  C37  1  0.13940885  0.35381791  0.91518193  1
  C  C38  1  0.27170986  0.10586052  0.33630674  1
  C  C39  1  0.89203393  0.73272264  0.15839629  1
  C  C40  1  0.72828828  0.89413861  0.66369363  1
  C  C41  1  0.10797039  0.26727777  0.84160304  1
  C  C42  1  0.29653850  0.08622897  0.20943623  1
  C  C43  1  0.91735070  0.70577273  0.28423784  1
  C  C44  1  0.70346130  0.91376868  0.79056424  1
  C  C45  1  0.08264820  0.29423007  0.71576288  1
  C  C46  1  0.41088478  0.09091473  0.15310312  1
  C  C47  1  0.91129030  0.59255594  0.34139195  1
  C  C48  1  0.58911681  0.90908002  0.84689843  1
  C  C49  1  0.08870525  0.40744816  0.65860816  1
  N  N50  1  0.15647507  0.08780384  0.36324175  1
  N  N51  1  0.90986432  0.84885953  0.13293270  1
  N  N52  1  0.84351843  0.91220205  0.63675594  1
  N  N53  1  0.09014433  0.15113794  0.86706674  1
  N  N54  1  0.11263707  0.05585397  0.26042145  1
  N  N55  1  0.94848201  0.88889961  0.23640110  1
  N  N56  1  0.88735837  0.94415197  0.73957613  1
  N  N57  1  0.05152344  0.11109913  0.76359940  1
  N  N58  1  0.19196399  0.06105682  0.16433545  1
  N  N59  1  0.95027145  0.80589867  0.32857754  1
  N  N60  1  0.80803271  0.93894682  0.83566288  1
  N  N61  1  0.04972739  0.19410424  0.67142324  1
  O  O62  1  0.93898920  0.10930586  0.05979048  1
  O  O63  1  0.87998134  0.06897002  0.44452686  1
  O  O64  1  0.06101210  0.89069237  0.94020662  1
  O  O65  1  0.12001722  0.93103526  0.55547173  1
  O  O66  1  0.70273703  0.14749425  0.24411020  1
  O  O67  1  0.85372012  0.30097400  0.25186297  1
  O  O68  1  0.29726345  0.85250095  0.75589326  1
  O  O69  1  0.14627432  0.69903171  0.74813437  1
  O  O70  1  0.66128034  0.07933881  0.05979180  1
  O  O71  1  0.91734132  0.34813929  0.43636195  1
  O  O72  1  0.33872410  0.92065018  0.94021267  1
  O  O73  1  0.08265436  0.65186446  0.56363643  1
