# generated using pymatgen
data_CrFeH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40477869
_cell_length_b   9.52348616
_cell_length_c   9.52727695
_cell_angle_alpha   81.78091656
_cell_angle_beta   75.39807481
_cell_angle_gamma   75.79436911
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeH20C28(N3O2)4
_chemical_formula_sum   'Cr1 Fe1 H20 C28 N12 O8'
_cell_volume   797.51386856
_cell_formula_units_Z   1
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  0.74054412  0.94526891  0.71913009  1
  Cr  Cr1  1  0.23858477  0.71258518  0.94977942  1
  H  H2  1  0.39037735  0.01377893  0.60980497  1
  H  H3  1  0.88852000  0.61319347  0.02508694  1
  H  H4  1  0.59642913  0.49040342  0.77711720  1
  H  H5  1  0.10518720  0.77260664  0.48328691  1
  H  H6  1  0.87242824  0.87614843  0.17660677  1
  H  H7  1  0.36843026  0.17977162  0.88255891  1
  H  H8  1  0.07725331  0.30933514  0.24828352  1
  H  H9  1  0.57944808  0.24419233  0.29651326  1
  H  H10  1  0.58889161  0.92458831  0.08246568  1
  H  H11  1  0.08571683  0.08960916  0.92423652  1
  H  H12  1  0.96076312  0.11319665  0.40948729  1
  H  H13  1  0.46766642  0.40801678  0.10050758  1
  H  H14  1  0.78861771  0.63193609  0.53498054  1
  H  H15  1  0.29400400  0.53155199  0.62056549  1
  H  H16  1  0.21145635  0.03100159  0.44936182  1
  H  H17  1  0.70927156  0.45538618  0.03307634  1
  H  H18  1  0.30968822  0.98496993  0.18619606  1
  H  H19  1  0.80674411  0.19303129  0.98251479  1
  H  H20  1  0.98635973  0.56796215  0.30746703  1
  H  H21  1  0.48981033  0.30289109  0.55525587  1
  C  C22  1  0.43026102  0.99374596  0.49550472  1
  C  C23  1  0.92861389  0.49972517  0.00249355  1
  C  C24  1  0.43789046  0.90123762  0.86791460  1
  C  C25  1  0.95106841  0.86354911  0.90259413  1
  C  C26  1  0.53926226  0.74974042  0.83727320  1
  C  C27  1  0.04966563  0.82157604  0.75249402  1
  C  C28  1  0.98923190  0.33671557  0.34597198  1
  C  C29  1  0.49316344  0.34255412  0.32430800  1
  C  C30  1  0.54283633  0.94313323  0.19643277  1
  C  C31  1  0.03954871  0.20274647  0.94525337  1
  C  C32  1  0.82040648  0.26397330  0.56188433  1
  C  C33  1  0.32812672  0.56019146  0.25244655  1
  C  C34  1  0.92921978  0.22600509  0.43542284  1
  C  C35  1  0.43545593  0.43349573  0.21363582  1
  C  C36  1  0.82863622  0.52053716  0.50560556  1
  C  C37  1  0.33458611  0.50201125  0.50910109  1
  C  C38  1  0.77130079  0.40882832  0.59535295  1
  C  C39  1  0.27857934  0.59243719  0.39769333  1
  C  C40  1  0.63946041  0.93184396  0.28925492  1
  C  C41  1  0.13677035  0.29447997  0.93830920  1
  C  C42  1  0.33263649  0.00357525  0.40417940  1
  C  C43  1  0.83029779  0.40972533  0.00724724  1
  C  C44  1  0.38783614  0.97843629  0.25570260  1
  C  C45  1  0.88473209  0.26220597  0.97930721  1
  C  C46  1  0.93877779  0.48270643  0.37965119  1
  C  C47  1  0.44306918  0.37577347  0.47055428  1
  C  C48  1  0.58515355  0.95711876  0.43614246  1
  C  C49  1  0.08322513  0.43980525  0.96804600  1
  N  N50  1  0.83383512  0.91315851  0.39332778  1
  N  N51  1  0.33324913  0.39434984  0.92491461  1
  N  N52  1  0.64591170  0.26758205  0.76693819  1
  N  N53  1  0.15357273  0.76614338  0.25992065  1
  N  N54  1  0.71041376  0.94285963  0.49481737  1
  N  N55  1  0.21005502  0.49658156  0.95779640  1
  N  N56  1  0.66526075  0.40262004  0.72364207  1
  N  N57  1  0.17412298  0.72147226  0.39323749  1
  N  N58  1  0.73952851  0.18188929  0.67185046  1
  N  N59  1  0.24946981  0.67333299  0.17146681  1
  N  N60  1  0.79312170  0.90422900  0.27085318  1
  N  N61  1  0.29058768  0.27478136  0.91212327  1
  O  O62  1  0.47061437  0.64421322  0.87637940  1
  O  O63  1  0.98935668  0.85756463  0.64431869  1
  O  O64  1  0.49711939  0.01018581  0.82788242  1
  O  O65  1  1.01483670  0.81569542  0.00976300  1
  O  O66  1  0.30016620  0.90532923  0.93092841  1
  O  O67  1  0.81923260  0.93768015  0.91159982  1
  O  O68  1  0.67540553  0.73992901  0.77547877  1
  O  O69  1  0.18477674  0.75246129  0.75006257  1
