# generated using pymatgen
data_CrFe2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.85259853
_cell_length_b   10.84530913
_cell_length_c   10.94830353
_cell_angle_alpha   89.00782491
_cell_angle_beta   88.81215504
_cell_angle_gamma   63.81701576
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe2H8C14(NO)6
_chemical_formula_sum   'Cr2 Fe4 H16 C28 N12 O12'
_cell_volume   1156.09126936
_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  0.90871567  0.09149947  0.25057008  1
  Cr  Cr1  1  0.09128174  0.90850376  0.74942954  1
  Fe  Fe2  1  0.85458267  0.99128457  -0.01063826  1
  Fe  Fe3  1  0.01053341  0.14541211  0.51036935  1
  Fe  Fe4  1  0.14541811  0.00871398  1.01063851  1
  Fe  Fe5  1  0.98946338  0.85459206  0.48963058  1
  H  H6  1  0.53884739  0.17195284  0.41300976  1
  H  H7  1  0.82692511  0.46167116  0.08834609  1
  H  H8  1  0.46115593  0.82803991  0.58699217  1
  H  H9  1  0.17307969  0.53832770  0.91165134  1
  H  H10  1  0.33590886  0.15748312  0.51183902  1
  H  H11  1  0.84021423  0.66471036  0.98890343  1
  H  H12  1  0.66409178  0.84251395  0.48816221  1
  H  H13  1  0.15979477  0.33528595  0.01109356  1
  H  H14  1  0.42647656  0.07697663  0.06103964  1
  H  H15  1  0.92637604  0.57414788  0.43835286  1
  H  H16  1  0.57352574  0.92301864  0.93896221  1
  H  H17  1  0.07361567  0.42585734  0.56164703  1
  H  H18  1  0.88517961  0.21068744  0.04835719  1
  H  H19  1  0.78957377  0.11570270  0.45406212  1
  H  H20  1  0.11482092  0.78931080  0.95164208  1
  H  H21  1  0.21042215  0.88430106  0.54593411  1
  C  C22  1  0.62881213  0.11470827  0.17592276  1
  C  C23  1  0.88642058  0.37171993  0.32467708  1
  C  C24  1  0.37118750  0.88528872  0.82407668  1
  C  C25  1  0.11357651  0.62828344  0.67532275  1
  C  C26  1  0.50034936  0.11813935  0.23177057  1
  C  C27  1  0.88289892  0.50010162  0.26857500  1
  C  C28  1  0.49965207  0.88185676  0.76823145  1
  C  C29  1  0.11709937  0.49989986  0.73142382  1
  C  C30  1  0.47105508  0.14538315  0.35849781  1
  C  C31  1  0.85419262  0.52949206  0.14228914  1
  C  C32  1  0.52894680  0.85461197  0.64150405  1
  C  C33  1  0.14581037  0.47050796  0.85770910  1
  C  C34  1  0.35796575  0.13808709  0.41464757  1
  C  C35  1  0.86075436  0.64267703  0.08581444  1
  C  C36  1  0.64203500  0.86190982  0.58535365  1
  C  C37  1  0.13925128  0.35732117  0.91418340  1
  C  C38  1  0.27291016  0.10355876  0.34233933  1
  C  C39  1  0.89632728  0.72775505  0.15728592  1
  C  C40  1  0.72708927  0.89644053  0.65766120  1
  C  C41  1  0.10367632  0.27224459  0.84271271  1
  C  C42  1  0.29786450  0.08225085  0.21624026  1
  C  C43  1  0.92068102  0.70188213  0.28279011  1
  C  C44  1  0.70213500  0.91774822  0.78376052  1
  C  C45  1  0.07931748  0.29812016  0.71720934  1
  C  C46  1  0.41008110  0.09149520  0.15908174  1
  C  C47  1  0.91122939  0.59009548  0.34048078  1
  C  C48  1  0.58992035  0.90850114  0.84091894  1
  C  C49  1  0.08876630  0.40990782  0.65951891  1
  N  N50  1  0.16154126  0.07879757  0.37110862  1
  N  N51  1  0.91966584  0.83983871  0.12797744  1
  N  N52  1  0.83845643  0.92120470  0.62889147  1
  N  N53  1  0.08034115  0.16015907  0.87202104  1
  N  N54  1  0.11648749  0.04750458  0.26856387  1
  N  N55  1  0.95374774  0.88391054  0.22979194  1
  N  N56  1  0.88350979  0.95249852  0.73143629  1
  N  N57  1  0.04625372  0.11608980  0.77020806  1
  N  N58  1  0.19809801  0.04844429  0.17369807  1
  N  N59  1  0.95723196  0.80052665  0.32415441  1
  N  N60  1  0.80189995  0.95155727  0.82630267  1
  N  N61  1  0.04276568  0.19947580  0.67584634  1
  O  O62  1  0.93062980  0.11321578  0.07016847  1
  O  O63  1  0.88679899  0.06971725  0.43122177  1
  O  O64  1  0.06937195  0.88678301  0.92983054  1
  O  O65  1  0.11319707  0.93028583  0.56877747  1
  O  O66  1  0.70510143  0.14335216  0.24725223  1
  O  O67  1  0.85621104  0.29569180  0.25407037  1
  O  O68  1  0.29489817  0.85664883  0.75274837  1
  O  O69  1  0.14378764  0.70430918  0.74592756  1
  O  O70  1  0.65546756  0.08218508  0.06420167  1
  O  O71  1  0.92062540  0.34470463  0.43576048  1
  O  O72  1  0.34453436  0.91781083  0.93580115  1
  O  O73  1  0.07936899  0.65529936  0.56424042  1
