# generated using pymatgen
data_CrFeH24C20(N3O4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32857642
_cell_length_b   11.84970928
_cell_length_c   13.33915260
_cell_angle_alpha   116.04552702
_cell_angle_beta   86.95041371
_cell_angle_gamma   90.01643644
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeH24C20(N3O4)4
_chemical_formula_sum   'Cr1 Fe1 H24 C20 N12 O16'
_cell_volume   1038.93445339
_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  0.49980960  0.50014500  0.50010060  1
  Cr  Cr1  1  0.99994117  1.00006424  0.50028479  1
  H  H2  1  0.44945891  0.28957997  0.58037150  1
  H  H3  1  0.05351507  0.70927947  0.42100907  1
  H  H4  1  0.55084653  0.71035963  0.41957145  1
  H  H5  1  0.95013883  0.29084705  0.57870801  1
  H  H6  1  0.45370155  0.26440371  0.75282512  1
  H  H7  1  0.04337636  0.51432728  0.25048859  1
  H  H8  1  0.54616596  0.73556139  0.24714097  1
  H  H9  1  0.95454191  0.48553104  0.74959731  1
  H  H10  1  0.53630807  0.66525685  0.93164743  1
  H  H11  1  0.96163348  0.73501244  0.06915340  1
  H  H12  1  0.46358343  0.33470474  0.06836535  1
  H  H13  1  0.03759164  0.26507761  0.93109830  1
  H  H14  1  0.53014172  0.67586619  0.75125030  1
  H  H15  1  0.97237341  0.92460902  0.24653735  1
  H  H16  1  0.46983896  0.32410166  0.24876247  1
  H  H17  1  0.03191768  0.07543229  0.75320021  1
  H  H18  1  0.39129320  0.74835566  0.59794030  1
  H  H19  1  0.10286939  0.15197039  0.40485262  1
  H  H20  1  0.60819098  0.25178050  0.40211662  1
  H  H21  1  0.89650034  0.84794631  0.59490154  1
  H  H22  1  0.20857510  0.67492357  0.59605494  1
  H  H23  1  0.28463855  0.07579475  0.40688363  1
  H  H24  1  0.79092065  0.32525442  0.40412314  1
  H  H25  1  0.71456762  0.92379825  0.59237357  1
  C  C26  1  0.46949747  0.37192709  0.65869316  1
  C  C27  1  0.03056936  0.71464613  0.34316364  1
  C  C28  1  0.53072120  0.62801184  0.34126085  1
  C  C29  1  0.97058851  0.28528830  0.65675893  1
  C  C30  1  0.47001361  0.35658846  0.75529999  1
  C  C31  1  0.02841130  0.60354538  0.24676431  1
  C  C32  1  0.52995013  0.64336866  0.24467086  1
  C  C33  1  0.97134823  0.39638005  0.75322615  1
  C  C34  1  0.49243922  0.46303496  0.85625375  1
  C  C35  1  0.00600877  0.60779954  0.14466510  1
  C  C36  1  0.50740925  0.53692705  0.14373761  1
  C  C37  1  0.99314346  0.39215507  0.85539297  1
  C  C38  1  0.51579123  0.58055529  0.85557647  1
  C  C39  1  0.98345859  0.72605396  0.14533724  1
  C  C40  1  0.48415369  0.41940500  0.14442502  1
  C  C41  1  0.01694051  0.27400227  0.85477002  1
  C  C42  1  0.51383537  0.58618404  0.75465002  1
  C  C43  1  0.98660012  0.83258526  0.24555315  1
  C  C44  1  0.48628448  0.41376482  0.24534274  1
  C  C45  1  0.01493800  0.16744599  0.75453695  1
  N  N46  1  0.49167903  0.48362277  0.65669120  1
  N  N47  1  0.00799817  0.82984834  0.34591605  1
  N  N48  1  0.50876209  0.51629374  0.34326911  1
  N  N49  1  0.99245758  0.17010373  0.65420924  1
  N  N50  1  0.49124015  0.44867675  0.95635698  1
  N  N51  1  0.00629871  0.49306776  0.04440367  1
  N  N52  1  0.50845683  0.55128837  0.04363685  1
  N  N53  1  0.99070356  0.50683621  0.95575402  1
  N  N54  1  0.86920458  0.62923348  0.59128868  1
  N  N55  1  0.63235153  0.03204594  0.40953481  1
  N  N56  1  0.13076526  0.37093227  0.40872490  1
  N  N57  1  0.36748213  0.96801423  0.59064251  1
  O  O58  1  0.71906207  0.63458017  0.54842660  1
  O  O59  1  0.78558817  0.08077793  0.45279894  1
  O  O60  1  0.28077396  0.36554055  0.45169213  1
  O  O61  1  0.21369344  0.91967887  0.54802531  1
  O  O62  1  0.91005492  0.54128687  0.61294081  1
  O  O63  1  0.59533393  0.92281944  0.38900760  1
  O  O64  1  0.09015491  0.45894692  0.38710982  1
  O  O65  1  0.40551424  0.07688447  0.61042067  1
  O  O66  1  0.97792299  0.72117981  0.61087703  1
  O  O67  1  0.52396654  0.10389346  0.39136453  1
  O  O68  1  0.02192228  0.27903593  0.38905583  1
  O  O69  1  0.47536944  0.89606066  0.60897226  1
  O  O70  1  0.34370190  0.66534895  0.58513476  1
  O  O71  1  0.14919411  0.07990708  0.41775723  1
  O  O72  1  0.65582414  0.33481325  0.41508433  1
  O  O73  1  0.84998032  0.91963440  0.58154619  1
