# generated using pymatgen
data_Cr2FeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.84288199
_cell_length_b   10.83445426
_cell_length_c   11.01005008
_cell_angle_alpha   88.76177610
_cell_angle_beta   88.44879183
_cell_angle_gamma   63.81117515
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeH8C14(NO)6
_chemical_formula_sum   'Cr4 Fe2 H16 C28 N12 O12'
_cell_volume   1160.15461613
_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  0.91732380  0.08970368  0.25514014  1
  Cr  Cr1  1  0.08267551  0.91029740  0.74485991  1
  Cr  Cr2  1  0.85249434  0.99630472  -0.01214985  1
  Fe  Fe3  1  0.01647919  0.14439114  0.50965722  1
  Cr  Cr4  1  0.14750573  0.00369479  1.01214967  1
  Fe  Fe5  1  0.98351938  0.85561131  0.49034281  1
  H  H6  1  0.55004503  0.16952011  0.40886030  1
  H  H7  1  0.82444961  0.46552199  0.09174573  1
  H  H8  1  0.44995770  0.83047418  0.59114078  1
  H  H9  1  0.17555565  0.53447623  0.90825172  1
  H  H10  1  0.34759034  0.15601813  0.51061413  1
  H  H11  1  0.83942386  0.66781504  0.99170247  1
  H  H12  1  0.65241054  0.84397967  0.48938650  1
  H  H13  1  0.16058367  0.33218188  0.00829554  1
  H  H14  1  0.42964844  0.08172451  0.06003654  1
  H  H15  1  0.93133037  0.57381561  0.43742073  1
  H  H16  1  0.57035348  0.91827103  0.93996435  1
  H  H17  1  0.06866114  0.42618912  0.56257949  1
  H  H18  1  0.90676619  0.20629927  0.05534900  1
  H  H19  1  0.79013702  0.12130551  0.45669774  1
  H  H20  1  0.09323420  0.79370012  0.94465061  1
  H  H21  1  0.20986152  0.87869776  0.54330145  1
  C  C22  1  0.63585161  0.11630244  0.17298587  1
  C  C23  1  0.88988706  0.37209138  0.32544882  1
  C  C24  1  0.36414924  0.88369595  0.82701456  1
  C  C25  1  0.11011142  0.62790994  0.67455062  1
  C  C26  1  0.50778444  0.11952879  0.22898668  1
  C  C27  1  0.88508997  0.50120409  0.26956253  1
  C  C28  1  0.49221678  0.88046816  0.77101358  1
  C  C29  1  0.11490898  0.49879753  0.73043649  1
  C  C30  1  0.48046308  0.14476387  0.35582149  1
  C  C31  1  0.85407938  0.53195880  0.14453196  1
  C  C32  1  0.51953877  0.85523242  0.64417983  1
  C  C33  1  0.14592347  0.46804014  0.85546594  1
  C  C34  1  0.36779367  0.13778784  0.41358120  1
  C  C35  1  0.86131439  0.64498930  0.08775426  1
  C  C36  1  0.63220704  0.86220982  0.58641951  1
  C  C37  1  0.13868991  0.35500964  0.91224378  1
  C  C38  1  0.28048186  0.10578026  0.34278986  1
  C  C39  1  0.89959851  0.72845999  0.15791941  1
  C  C40  1  0.71951818  0.89421907  0.65721045  1
  C  C41  1  0.10040291  0.27154023  0.84207988  1
  C  C42  1  0.30260610  0.08818163  0.21662198  1
  C  C43  1  0.92635338  0.70120688  0.28216107  1
  C  C44  1  0.69739416  0.91181657  0.78337842  1
  C  C45  1  0.07364379  0.29879528  0.71783903  1
  C  C46  1  0.41512364  0.09559004  0.15768580  1
  C  C47  1  0.91549479  0.59010947  0.34020750  1
  C  C48  1  0.58487779  0.90440687  0.84231533  1
  C  C49  1  0.08450077  0.40989321  0.65979269  1
  N  N50  1  0.16863881  0.08123415  0.37245716  1
  N  N51  1  0.92461489  0.83966634  0.12839130  1
  N  N52  1  0.83135982  0.91876722  0.62754297  1
  N  N53  1  0.07538752  0.16033327  0.87160812  1
  N  N54  1  0.12232608  0.05228350  0.27042591  1
  N  N55  1  0.96109183  0.88267582  0.22845872  1
  N  N56  1  0.87767308  0.94771734  0.72957397  1
  N  N57  1  0.03890738  0.11732558  0.77154129  1
  N  N58  1  0.19988008  0.06024164  0.17461245  1
  N  N59  1  0.96621362  0.79796801  0.32231923  1
  N  N60  1  0.80011987  0.93975796  0.82538796  1
  N  N61  1  0.03378215  0.20203475  0.67768166  1
  O  O62  1  0.94452817  0.10860793  0.07633966  1
  O  O63  1  0.88721272  0.07123359  0.43378805  1
  O  O64  1  0.05547204  0.89139166  0.92365994  1
  O  O65  1  0.11278526  0.92876910  0.56621213  1
  O  O66  1  0.71429222  0.14075167  0.24328679  1
  O  O67  1  0.86128076  0.29506052  0.25523627  1
  O  O68  1  0.28570644  0.85924896  0.75671263  1
  O  O69  1  0.13871843  0.70494084  0.74476296  1
  O  O70  1  0.66089218  0.08859297  0.05965823  1
  O  O71  1  0.92423214  0.34466792  0.43576111  1
  O  O72  1  0.33910803  0.91140473  0.94034233  1
  O  O73  1  0.07576514  0.65533453  0.56423821  1
