# generated using pymatgen
data_CrFeCoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88920957
_cell_length_b   10.87583714
_cell_length_c   10.86695089
_cell_angle_alpha   89.16082633
_cell_angle_beta   89.01461346
_cell_angle_gamma   63.68478729
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeCoH8C14(NO)6
_chemical_formula_sum   'Cr2 Fe2 Co2 H16 C28 N12 O12'
_cell_volume   1153.38926805
_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  0.90024630  0.09641059  0.24194267  1
  Fe  Fe1  1  0.09975382  0.90359217  0.75805612  1
  Co  Co2  1  0.85849671  0.98207411  -0.00361486  1
  Cr  Cr3  1  0.01108868  0.14215764  0.50214234  1
  Co  Co4  1  0.14150573  0.01792425  1.00361423  1
  Cr  Cr5  1  0.98890271  0.85784969  0.49785963  1
  H  H6  1  0.53634175  0.16892003  0.41375387  1
  H  H7  1  0.83059904  0.45977311  0.08978811  1
  H  H8  1  0.46366135  0.83106961  0.58624953  1
  H  H9  1  0.16940561  0.54022829  0.91020931  1
  H  H10  1  0.33243610  0.15607853  0.51201142  1
  H  H11  1  0.84185226  0.66373525  0.99092913  1
  H  H12  1  0.66756131  0.84391952  0.48798981  1
  H  H13  1  0.15815593  0.33626550  0.00906980  1
  H  H14  1  0.42544563  0.07515749  0.05750135  1
  H  H15  1  0.92735269  0.57270076  0.44463777  1
  H  H16  1  0.57455264  0.92483821  0.94249951  1
  H  H17  1  0.07263928  0.42730440  0.55536302  1
  H  H18  1  0.87367009  0.21458934  0.02848182  1
  H  H19  1  0.79239557  0.10661532  0.46326363  1
  H  H20  1  0.12633255  0.78541091  0.97151566  1
  H  H21  1  0.20759491  0.89338749  0.53673127  1
  C  C22  1  0.62275540  0.11861409  0.17508239  1
  C  C23  1  0.88390463  0.37176249  0.32690032  1
  C  C24  1  0.37724794  0.88137737  0.82492086  1
  C  C25  1  0.11609104  0.62824182  0.67309786  1
  C  C26  1  0.49598434  0.11858723  0.23055302  1
  C  C27  1  0.88373172  0.49879002  0.27264342  1
  C  C28  1  0.50401809  0.88140552  0.76944929  1
  C  C29  1  0.11626554  0.50121411  0.72735562  1
  C  C30  1  0.46772673  0.14424659  0.35817491  1
  C  C31  1  0.85619337  0.52806098  0.14501248  1
  C  C32  1  0.53227520  0.85574535  0.64182761  1
  C  C33  1  0.14380902  0.47194140  0.85498597  1
  C  C34  1  0.35410686  0.13859694  0.41382572  1
  C  C35  1  0.86078088  0.64181117  0.08869672  1
  C  C36  1  0.64589263  0.86139931  0.58617601  1
  C  C37  1  0.13922467  0.35818988  0.91130230  1
  C  C38  1  0.26833800  0.10834390  0.33849060  1
  C  C39  1  0.89067630  0.72891417  0.16270260  1
  C  C40  1  0.73166050  0.89165510  0.66151006  1
  C  C41  1  0.10932963  0.27108594  0.83729763  1
  C  C42  1  0.29494836  0.08446351  0.21208516  1
  C  C43  1  0.91300255  0.70302388  0.28936016  1
  C  C44  1  0.70505213  0.91553449  0.78791564  1
  C  C45  1  0.08699775  0.29697867  0.71064078  1
  C  C46  1  0.40789377  0.09121126  0.15593863  1
  C  C47  1  0.91023057  0.58878576  0.34636356  1
  C  C48  1  0.59210796  0.90878363  0.84406268  1
  C  C49  1  0.08976482  0.41121874  0.65363665  1
  N  N50  1  0.15616128  0.08525313  0.36436614  1
  N  N51  1  0.91105695  0.84327371  0.13631712  1
  N  N52  1  0.84383391  0.91475107  0.63563056  1
  N  N53  1  0.08895345  0.15672373  0.86368281  1
  N  N54  1  0.12099201  0.04041628  0.26239746  1
  N  N55  1  0.95628521  0.87739737  0.23683692  1
  N  N56  1  0.87900334  0.95959009  0.73759815  1
  N  N57  1  0.04372073  0.12260223  0.76316445  1
  N  N58  1  0.19701949  0.04794964  0.16797161  1
  N  N59  1  0.94369480  0.80403066  0.33305416  1
  N  N60  1  0.80298112  0.95205154  0.83202632  1
  N  N61  1  0.05630727  0.19597088  0.66694738  1
  O  O62  1  0.92485997  0.11936937  0.05448029  1
  O  O63  1  0.88876360  0.05993788  0.43849593  1
  O  O64  1  0.07514121  0.88063116  0.94551796  1
  O  O65  1  0.11122810  0.94006566  0.56150171  1
  O  O66  1  0.69432825  0.14971509  0.24847550  1
  O  O67  1  0.84540765  0.30375994  0.25784556  1
  O  O68  1  0.30567273  0.85028007  0.75152689  1
  O  O69  1  0.15458805  0.69624457  0.74215221  1
  O  O70  1  0.65098664  0.08545319  0.06237750  1
  O  O71  1  0.92390302  0.33787108  0.43939053  1
  O  O72  1  0.34901825  0.91453564  0.93762602  1
  O  O73  1  0.07609240  0.66213331  0.56060749  1
