# generated using pymatgen
data_MnCrFeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.85905641
_cell_length_b   10.84523372
_cell_length_c   11.06445854
_cell_angle_alpha   88.80278881
_cell_angle_beta   88.65497202
_cell_angle_gamma   63.81759371
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrFeH8C14(NO)6
_chemical_formula_sum   'Mn2 Cr2 Fe2 H16 C28 N12 O12'
_cell_volume   1168.94654404
_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  0.91035563  0.09137127  0.25156549  1
  Cr  Cr1  1  0.08964356  0.90862964  0.74843415  1
  Mn  Mn2  1  0.84736810  0.99948265  -0.01072754  1
  Fe  Fe3  1  0.00628163  0.14720940  0.51316090  1
  Mn  Mn4  1  0.15263296  0.00051641  1.01072854  1
  Fe  Fe5  1  0.99371721  0.85279342  0.48684000  1
  H  H6  1  0.53763350  0.17593677  0.41514044  1
  H  H7  1  0.82497966  0.46159147  0.09470351  1
  H  H8  1  0.46236897  0.82405870  0.58485999  1
  H  H9  1  0.17502612  0.53840657  0.90529351  1
  H  H10  1  0.33431685  0.16343518  0.51478040  1
  H  H11  1  0.84064364  0.66279372  0.99421051  1
  H  H12  1  0.66568509  0.83656233  0.48522037  1
  H  H13  1  0.15936464  0.33720323  0.00578701  1
  H  H14  1  0.42895471  0.06905988  0.07079043  1
  H  H15  1  0.92787206  0.57354592  0.43916470  1
  H  H16  1  0.57104555  0.93093781  0.92921024  1
  H  H17  1  0.07211919  0.42645780  0.56083527  1
  H  H18  1  0.89521719  0.21452433  0.05473126  1
  H  H19  1  0.79133387  0.11079245  0.45139075  1
  H  H20  1  0.10478358  0.78547594  0.94526782  1
  H  H21  1  0.20866471  0.88921096  0.54860836  1
  C  C22  1  0.62751188  0.11484029  0.17984545  1
  C  C23  1  0.88543845  0.37200984  0.32826657  1
  C  C24  1  0.37248786  0.88515708  0.82015286  1
  C  C25  1  0.11456036  0.62799112  0.67173202  1
  C  C26  1  0.50035256  0.11764390  0.23751757  1
  C  C27  1  0.88262980  0.49990500  0.27208615  1
  C  C28  1  0.49964776  0.88235346  0.76248287  1
  C  C29  1  0.11736920  0.50009577  0.72791181  1
  C  C30  1  0.47026633  0.14789215  0.36240737  1
  C  C31  1  0.85358239  0.52889593  0.14704675  1
  C  C32  1  0.52973590  0.85210468  0.63759318  1
  C  C33  1  0.14642094  0.47110283  0.85295118  1
  C  C34  1  0.35687121  0.14184372  0.41895268  1
  C  C35  1  0.86121651  0.64114221  0.09008930  1
  C  C36  1  0.64312947  0.85815427  0.58104822  1
  C  C37  1  0.13878848  0.35885614  0.90990919  1
  C  C38  1  0.27253494  0.10500121  0.34906191  1
  C  C39  1  0.89748380  0.72617109  0.16005397  1
  C  C40  1  0.72746468  0.89499891  0.65093842  1
  C  C41  1  0.10251832  0.27382799  0.83994597  1
  C  C42  1  0.30045399  0.07743433  0.22529115  1
  C  C43  1  0.92160777  0.70080767  0.28447029  1
  C  C44  1  0.69954541  0.92256541  0.77470895  1
  C  C45  1  0.07838835  0.29919383  0.71552967  1
  C  C46  1  0.41200627  0.08667481  0.16731714  1
  C  C47  1  0.91201057  0.58951078  0.34232904  1
  C  C48  1  0.58799408  0.91332332  0.83268382  1
  C  C49  1  0.08798469  0.41049085  0.65767152  1
  N  N50  1  0.15926864  0.08300997  0.37723686  1
  N  N51  1  0.91973001  0.83806751  0.12963008  1
  N  N52  1  0.84072936  0.91699252  0.62276309  1
  N  N53  1  0.08027552  0.16193021  0.87037068  1
  N  N54  1  0.11813372  0.04632911  0.27571940  1
  N  N55  1  0.95183017  0.88392668  0.22942819  1
  N  N56  1  0.88186377  0.95367387  0.72428048  1
  N  N57  1  0.04817039  0.11607196  0.77057445  1
  N  N58  1  0.20419922  0.03919327  0.18415980  1
  N  N59  1  0.95671668  0.80066912  0.32437744  1
  N  N60  1  0.79579884  0.96080845  0.81584053  1
  N  N61  1  0.04327795  0.19933234  0.67562551  1
  O  O62  1  0.93348551  0.11637016  0.07354467  1
  O  O63  1  0.88876617  0.06773165  0.42941107  1
  O  O64  1  0.06651535  0.88363099  0.92645416  1
  O  O65  1  0.11123183  0.93227096  0.57058890  1
  O  O66  1  0.70609334  0.14217558  0.24813871  1
  O  O67  1  0.85640097  0.29554804  0.25840523  1
  O  O68  1  0.29390638  0.85782544  0.75186087  1
  O  O69  1  0.14359760  0.70445307  0.74159312  1
  O  O70  1  0.65057415  0.08363016  0.06867257  1
  O  O71  1  0.91777976  0.34605220  0.43873059  1
  O  O72  1  0.34942673  0.91636568  0.93132868  1
  O  O73  1  0.08221797  0.65394955  0.56126813  1
