# generated using pymatgen
data_CrFeCoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86360383
_cell_length_b   10.85495154
_cell_length_c   10.86983254
_cell_angle_alpha   89.19901032
_cell_angle_beta   89.01182914
_cell_angle_gamma   63.80009383
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeCoH8C14(NO)6
_chemical_formula_sum   'Cr2 Fe2 Co2 H16 C28 N12 O12'
_cell_volume   1149.91834907
_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
  Cr  Cr0  1  0.90223863  0.09638043  0.24891594  1
  Cr  Cr1  1  0.09776011  0.90362274  0.75108236  1
  Co  Co2  1  0.85704079  0.98337002  -0.00711468  1
  Fe  Fe3  1  0.00859616  0.14496644  0.50728402  1
  Co  Co4  1  0.14296154  0.01662712  1.00711406  1
  Fe  Fe5  1  0.99139962  0.85503842  0.49271595  1
  H  H6  1  0.53697360  0.16818685  0.41370405  1
  H  H7  1  0.83017204  0.46272901  0.08580673  1
  H  H8  1  0.46302966  0.83180256  0.58629941  1
  H  H9  1  0.16983279  0.53727141  0.91419003  1
  H  H10  1  0.33249879  0.15534661  0.51100792  1
  H  H11  1  0.84150150  0.66641897  0.98701130  1
  H  H12  1  0.66749897  0.84465175  0.48899350  1
  H  H13  1  0.15850629  0.33358078  0.01298657  1
  H  H14  1  0.42564077  0.07529906  0.05721544  1
  H  H15  1  0.92869775  0.57562178  0.43966333  1
  H  H16  1  0.57436152  0.92469675  0.94278665  1
  H  H17  1  0.07129420  0.42438405  0.56033692  1
  H  H18  1  0.87534897  0.20842188  0.04034467  1
  H  H19  1  0.78690084  0.11967989  0.45621232  1
  H  H20  1  0.12465056  0.79157948  0.95965252  1
  H  H21  1  0.21309686  0.88032448  0.54378453  1
  C  C22  1  0.62515639  0.11734627  0.17416884  1
  C  C23  1  0.88379981  0.37514626  0.32466561  1
  C  C24  1  0.37484516  0.88264617  0.82583387  1
  C  C25  1  0.11619654  0.62485741  0.67533269  1
  C  C26  1  0.49760099  0.11789317  0.22990895  1
  C  C27  1  0.88259664  0.50260314  0.26859619  1
  C  C28  1  0.50240101  0.88209971  0.77009404  1
  C  C29  1  0.11740169  0.49740018  0.73140277  1
  C  C30  1  0.46860287  0.14333607  0.35779867  1
  C  C31  1  0.85540151  0.53150755  0.14107828  1
  C  C32  1  0.53139801  0.85665710  0.64220440  1
  C  C33  1  0.14460123  0.46849368  0.85891967  1
  C  C34  1  0.35509281  0.13684055  0.41305381  1
  C  C35  1  0.86094753  0.64509937  0.08480664  1
  C  C36  1  0.64490619  0.86315615  0.58694800  1
  C  C37  1  0.13905808  0.35490088  0.91519163  1
  C  C38  1  0.26915128  0.10504817  0.33861547  1
  C  C39  1  0.89311377  0.73214199  0.15765428  1
  C  C40  1  0.73084707  0.89495089  0.66138541  1
  C  C41  1  0.10689133  0.26785790  0.84234504  1
  C  C42  1  0.29466463  0.08334005  0.21166262  1
  C  C43  1  0.91704191  0.70587383  0.28411632  1
  C  C44  1  0.70533483  0.91665857  0.78833770  1
  C  C45  1  0.08295731  0.29412881  0.71588360  1
  C  C46  1  0.40831708  0.09071860  0.15579190  1
  C  C47  1  0.91098049  0.59226415  0.34136059  1
  C  C48  1  0.59168494  0.90927634  0.84421028  1
  C  C49  1  0.08901488  0.40774026  0.65863952  1
  N  N50  1  0.15583988  0.08438192  0.36625495  1
  N  N51  1  0.91303917  0.84665427  0.13008144  1
  N  N52  1  0.84415543  0.91562154  0.63374389  1
  N  N53  1  0.08697165  0.15334169  0.86991722  1
  N  N54  1  0.11125199  0.05266866  0.26217073  1
  N  N55  1  0.94666989  0.88993101  0.23320092  1
  N  N56  1  0.88874392  0.94733618  0.73782772  1
  N  N57  1  0.05333334  0.11006979  0.76679931  1
  N  N58  1  0.19279761  0.05279423  0.16762276  1
  N  N59  1  0.94886833  0.80627170  0.32789154  1
  N  N60  1  0.80720008  0.94720707  0.83237652  1
  N  N61  1  0.05112894  0.19373158  0.67210976  1
  O  O62  1  0.92499246  0.11362864  0.06884496  1
  O  O63  1  0.88352509  0.07115427  0.43230911  1
  O  O64  1  0.07500759  0.88637259  0.93115301  1
  O  O65  1  0.11647308  0.92884979  0.56768974  1
  O  O66  1  0.70027821  0.14698828  0.24711143  1
  O  O67  1  0.85216638  0.30012310  0.25347659  1
  O  O68  1  0.29972145  0.85300971  0.75288866  1
  O  O69  1  0.14783047  0.69988036  0.74652087  1
  O  O70  1  0.65094466  0.08700162  0.06142062  1
  O  O71  1  0.91757072  0.34804393  0.43667722  1
  O  O72  1  0.34905861  0.91298637  0.93858294  1
  O  O73  1  0.08242362  0.65196079  0.56332213  1
