# generated using pymatgen
data_CrFeNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88024454
_cell_length_b   10.88001513
_cell_length_c   10.86446403
_cell_angle_alpha   89.19668965
_cell_angle_beta   88.94393912
_cell_angle_gamma   63.68622094
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeNiH8C14(NO)6
_chemical_formula_sum   'Cr2 Fe2 Ni2 H16 C28 N12 O12'
_cell_volume   1152.61832749
_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
  Fe  Fe0  1  0.90324726  0.10103648  0.25989623  1
  Fe  Fe1  1  0.09675118  0.89896643  0.74010222  1
  Cr  Cr2  1  0.85783943  0.98956454  -0.00357008  1
  Ni  Ni3  1  0.01927730  0.14115710  0.50510513  1
  Cr  Cr4  1  0.14216024  0.01043313  1.00356993  1
  Ni  Ni5  1  0.98071919  0.85884747  0.49489457  1
  H  H6  1  0.54068841  0.16773569  0.41166155  1
  H  H7  1  0.83015369  0.46326435  0.08837423  1
  H  H8  1  0.45931474  0.83225386  0.58834228  1
  H  H9  1  0.16985104  0.53673594  0.91162274  1
  H  H10  1  0.33632198  0.15648603  0.51055497  1
  H  H11  1  0.84227151  0.66715273  0.98957780  1
  H  H12  1  0.66367568  0.84351210  0.48944650  1
  H  H13  1  0.15773625  0.33284679  0.01041969  1
  H  H14  1  0.42691259  0.07567192  0.05542492  1
  H  H15  1  0.92814784  0.57413318  0.44310824  1
  H  H16  1  0.57308883  0.92432391  0.94457715  1
  H  H17  1  0.07184412  0.42587228  0.55689185  1
  H  H18  1  0.89440605  0.20715947  0.03904962  1
  H  H19  1  0.78879608  0.12457966  0.47288624  1
  H  H20  1  0.10559506  0.79284119  0.96094733  1
  H  H21  1  0.21120098  0.87542605  0.52711063  1
  C  C22  1  0.62827608  0.11669156  0.17376899  1
  C  C23  1  0.88253759  0.37606752  0.32552831  1
  C  C24  1  0.37172616  0.88330097  0.82623472  1
  C  C25  1  0.11745801  0.62393664  0.67447020  1
  C  C26  1  0.50126395  0.11655158  0.22812862  1
  C  C27  1  0.88268929  0.50325285  0.27072218  1
  C  C28  1  0.49873799  0.88344160  0.77187441  1
  C  C29  1  0.11730818  0.49675046  0.72927653  1
  C  C30  1  0.47213339  0.14292875  0.35620162  1
  C  C31  1  0.85562803  0.53181170  0.14345776  1
  C  C32  1  0.52786866  0.85706339  0.64380129  1
  C  C33  1  0.14437428  0.46818959  0.85654015  1
  C  C34  1  0.35828232  0.13832193  0.41254464  1
  C  C35  1  0.86082419  0.64536528  0.08748305  1
  C  C36  1  0.64171742  0.86167434  0.58745746  1
  C  C37  1  0.13918092  0.35463468  0.91251492  1
  C  C38  1  0.27074661  0.10933023  0.33839318  1
  C  C39  1  0.89184429  0.73116201  0.16219276  1
  C  C40  1  0.72925237  0.89066818  0.66160761  1
  C  C41  1  0.10816036  0.26883753  0.83780600  1
  C  C42  1  0.29644140  0.08914028  0.21122489  1
  C  C43  1  0.91660682  0.70484547  0.28846907  1
  C  C44  1  0.70355909  0.91085671  0.78877631  1
  C  C45  1  0.08339213  0.29515708  0.71153075  1
  C  C46  1  0.41084934  0.09164347  0.15399439  1
  C  C47  1  0.91093281  0.59139431  0.34489595  1
  C  C48  1  0.58915246  0.90835074  0.84600764  1
  C  C49  1  0.08906225  0.40860996  0.65510380  1
  N  N50  1  0.15714622  0.08770594  0.36470612  1
  N  N51  1  0.91497194  0.84321291  0.13597484  1
  N  N52  1  0.84284933  0.91229808  0.63529268  1
  N  N53  1  0.08503892  0.15678331  0.86402357  1
  N  N54  1  0.12406648  0.04301865  0.26313156  1
  N  N55  1  0.96108178  0.87757036  0.23683528  1
  N  N56  1  0.87592821  0.95698732  0.73686613  1
  N  N57  1  0.03892467  0.12242781  0.76316432  1
  N  N58  1  0.19571273  0.05915550  0.16703799  1
  N  N59  1  0.95167201  0.80362226  0.33216718  1
  N  N60  1  0.80428477  0.94084770  0.83296094  1
  N  N61  1  0.04832727  0.19638017  0.66783292  1
  O  O62  1  0.94090095  0.11081921  0.06363858  1
  O  O63  1  0.88358902  0.07366702  0.44517639  1
  O  O64  1  0.05909907  0.88918170  0.93635913  1
  O  O65  1  0.11640872  0.92633728  0.55482286  1
  O  O66  1  0.69596910  0.15490669  0.24358779  1
  O  O67  1  0.84868083  0.30674322  0.25150467  1
  O  O68  1  0.30403149  0.84508969  0.75641424  1
  O  O69  1  0.15131451  0.69326147  0.74849351  1
  O  O70  1  0.66234951  0.07754701  0.06092019  1
  O  O71  1  0.91830613  0.34503412  0.43693274  1
  O  O72  1  0.33765278  0.92244511  0.93908364  1
  O  O73  1  0.08168821  0.65497117  0.56306624  1
