# generated using pymatgen
data_Cr2FeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.96890091
_cell_length_b   10.96141953
_cell_length_c   10.98970206
_cell_angle_alpha   88.58381127
_cell_angle_beta   88.38894476
_cell_angle_gamma   63.21604866
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeH8C14(NO)6
_chemical_formula_sum   'Cr4 Fe2 H16 C28 N12 O12'
_cell_volume   1179.00586296
_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  0.91360240  0.08635505  0.25037137  1
  Fe  Fe1  1  0.08639712  0.91364783  0.74962747  1
  Cr  Cr2  1  0.85398262  0.99452336  -0.01082036  1
  Cr  Cr3  1  0.00521504  0.14626739  0.51104537  1
  Cr  Cr4  1  0.14601924  0.00547521  1.01081999  1
  Cr  Cr5  1  0.99478057  0.85373633  0.48895630  1
  H  H6  1  0.54492503  0.17541202  0.40315317  1
  H  H7  1  0.82329561  0.45530545  0.09758955  1
  H  H8  1  0.45507867  0.82457942  0.59684971  1
  H  H9  1  0.17670734  0.54469515  0.90240792  1
  H  H10  1  0.34625393  0.16029530  0.50787210  1
  H  H11  1  0.83799391  0.65395389  0.99279158  1
  H  H12  1  0.65374753  0.83970055  0.49212987  1
  H  H13  1  0.16201366  0.34604395  0.00720624  1
  H  H14  1  0.42689781  0.08292748  0.05622646  1
  H  H15  1  0.91924524  0.57275912  0.44332636  1
  H  H16  1  0.57310421  0.91706842  0.94377511  1
  H  H17  1  0.08074696  0.42724506  0.55667440  1
  H  H18  1  0.90210808  0.20730484  0.04708230  1
  H  H19  1  0.79276911  0.09725787  0.45436305  1
  H  H20  1  0.09789296  0.79269242  0.95291275  1
  H  H21  1  0.20722857  0.90274643  0.54563526  1
  C  C22  1  0.63142509  0.11787318  0.16881813  1
  C  C23  1  0.88210741  0.36873748  0.33129338  1
  C  C24  1  0.36857572  0.88212157  0.83118244  1
  C  C25  1  0.11788861  0.63126557  0.66870596  1
  C  C26  1  0.50347626  0.12291250  0.22452513  1
  C  C27  1  0.87742967  0.49645761  0.27557377  1
  C  C28  1  0.49652502  0.87708258  0.77547765  1
  C  C29  1  0.12256849  0.50354537  0.72442540  1
  C  C30  1  0.47644251  0.14988297  0.35117135  1
  C  C31  1  0.84950306  0.52362985  0.14926862  1
  C  C32  1  0.52356054  0.85011119  0.64883192  1
  C  C33  1  0.15049844  0.47636953  0.85072854  1
  C  C34  1  0.36606163  0.14256641  0.41070718  1
  C  C35  1  0.85659097  0.63400957  0.08970777  1
  C  C36  1  0.63393926  0.85742970  0.58929482  1
  C  C37  1  0.14341393  0.36598981  0.91028990  1
  C  C38  1  0.28086217  0.10947132  0.34071825  1
  C  C39  1  0.89066039  0.71897153  0.15923158  1
  C  C40  1  0.71913653  0.89052840  0.65928280  1
  C  C41  1  0.10934361  0.28102757  0.84076727  1
  C  C42  1  0.30298318  0.08958879  0.21450511  1
  C  C43  1  0.91216564  0.69633060  0.28508281  1
  C  C44  1  0.69701681  0.91041167  0.78549516  1
  C  C45  1  0.08783387  0.30367026  0.71491728  1
  C  C46  1  0.41269446  0.09780500  0.15395566  1
  C  C47  1  0.90375522  0.58688571  0.34574159  1
  C  C48  1  0.58730695  0.90219200  0.84604667  1
  C  C49  1  0.09624045  0.41311744  0.65425627  1
  N  N50  1  0.17475860  0.07923420  0.37244095  1
  N  N51  1  0.92044636  0.82530671  0.12728290  1
  N  N52  1  0.82523744  0.92076939  0.62755817  1
  N  N53  1  0.07955898  0.17469121  0.87271638  1
  N  N54  1  0.13595572  0.03948142  0.27341238  1
  N  N55  1  0.96192522  0.86341372  0.22567979  1
  N  N56  1  0.86403982  0.96052396  0.72658498  1
  N  N57  1  0.03807873  0.13658453  0.77431992  1
  N  N58  1  0.20655705  0.05222086  0.17585643  1
  N  N59  1  0.95054223  0.79223850  0.32328568  1
  N  N60  1  0.79343985  0.94778411  0.82414253  1
  N  N61  1  0.04945730  0.20776188  0.67671432  1
  O  O62  1  0.94369704  0.11048152  0.06892330  1
  O  O63  1  0.88940178  0.05611632  0.43159260  1
  O  O64  1  0.05630394  0.88951859  0.93107524  1
  O  O65  1  0.11059579  0.94388787  0.56840704  1
  O  O66  1  0.70598419  0.14469791  0.23838980  1
  O  O67  1  0.85412482  0.29449738  0.26200857  1
  O  O68  1  0.29401788  0.85530029  0.76161315  1
  O  O69  1  0.14587053  0.70550606  0.73799010  1
  O  O70  1  0.65998104  0.08399774  0.05625042  1
  O  O71  1  0.91678853  0.33991234  0.44337083  1
  O  O72  1  0.34001990  0.91599731  0.94375295  1
  O  O73  1  0.08320623  0.66009120  0.55662772  1
