# generated using pymatgen
data_Cr2FeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.84314749
_cell_length_b   10.83893277
_cell_length_c   11.00142565
_cell_angle_alpha   88.65094520
_cell_angle_beta   88.57726511
_cell_angle_gamma   63.79814025
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeH8C14(NO)6
_chemical_formula_sum   'Cr4 Fe2 H16 C28 N12 O12'
_cell_volume   1159.64433335
_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  0.91060385  0.08259163  0.24532319  1
  Cr  Cr1  1  0.08939515  0.91740942  0.75467615  1
  Fe  Fe2  1  0.85541234  0.98543559  -0.00943758  1
  Cr  Cr3  1  0.00365498  0.14759247  0.51257413  1
  Fe  Fe4  1  0.14458782  0.01456416  1.00943738  1
  Cr  Cr5  1  0.99634250  0.85241034  0.48742575  1
  H  H6  1  0.53461603  0.17437578  0.40979074  1
  H  H7  1  0.82916274  0.44981750  0.09216894  1
  H  H8  1  0.46538672  0.82561854  0.59021074  1
  H  H9  1  0.17084197  0.55018113  0.90782882  1
  H  H10  1  0.33223115  0.15879976  0.50944929  1
  H  H11  1  0.84227302  0.65201862  0.98985797  1
  H  H12  1  0.66776947  0.84119805  0.49055181  1
  H  H13  1  0.15773566  0.34797829  0.01013968  1
  H  H14  1  0.42595005  0.07203328  0.06204992  1
  H  H15  1  0.92037909  0.57056569  0.43984013  1
  H  H16  1  0.57405119  0.92796314  0.93795128  1
  H  H17  1  0.07961280  0.42943947  0.56016031  1
  H  H18  1  0.87926571  0.21023158  0.04444740  1
  H  H19  1  0.79404041  0.09297725  0.44556546  1
  H  H20  1  0.12073294  0.78976917  0.95555198  1
  H  H21  1  0.20595760  0.90702518  0.55443380  1
  C  C22  1  0.62794110  0.11110151  0.17516972  1
  C  C23  1  0.88425794  0.36422712  0.32778408  1
  C  C24  1  0.37205917  0.88889638  0.82483066  1
  C  C25  1  0.11574019  0.63577454  0.67221441  1
  C  C26  1  0.49871095  0.11584661  0.23091141  1
  C  C27  1  0.88085047  0.49213743  0.27148680  1
  C  C28  1  0.50128976  0.88415042  0.76908967  1
  C  C29  1  0.11914883  0.50786400  0.72851225  1
  C  C30  1  0.46806322  0.14553336  0.35646671  1
  C  C31  1  0.85458509  0.51933633  0.14483315  1
  C  C32  1  0.53193806  0.85446293  0.64353441  1
  C  C33  1  0.14541812  0.48066264  0.85516500  1
  C  C34  1  0.35503980  0.13790833  0.41302591  1
  C  C35  1  0.86123905  0.63184919  0.08673141  1
  C  C36  1  0.64496087  0.86208944  0.58697505  1
  C  C37  1  0.13876634  0.36814914  0.91326632  1
  C  C38  1  0.27151401  0.10058743  0.34212012  1
  C  C39  1  0.89408505  0.71915711  0.15695228  1
  C  C40  1  0.72848519  0.89941237  0.65788049  1
  C  C41  1  0.10591834  0.28084189  0.84304685  1
  C  C42  1  0.29825799  0.07574500  0.21728162  1
  C  C43  1  0.91274548  0.69720684  0.28299160  1
  C  C44  1  0.70174189  0.92425402  0.78271919  1
  C  C45  1  0.08725309  0.30279457  0.71700813  1
  C  C46  1  0.40951055  0.08686038  0.15955372  1
  C  C47  1  0.90562489  0.58483381  0.34231900  1
  C  C48  1  0.59049007  0.91313688  0.84044698  1
  C  C49  1  0.09437152  0.41516887  0.65768089  1
  N  N50  1  0.16031477  0.07548126  0.37133634  1
  N  N51  1  0.91750703  0.83139041  0.12667203  1
  N  N52  1  0.83968356  0.92452006  0.62866393  1
  N  N53  1  0.08249672  0.16860808  0.87332696  1
  N  N54  1  0.11717347  0.04014337  0.27070732  1
  N  N55  1  0.94810482  0.87744817  0.22835558  1
  N  N56  1  0.88282518  0.95985757  0.72929294  1
  N  N57  1  0.05189531  0.12255245  0.77164422  1
  N  N58  1  0.20090663  0.03741064  0.17632847  1
  N  N59  1  0.94112613  0.79995859  0.32431141  1
  N  N60  1  0.79909249  0.96258956  0.82367191  1
  N  N61  1  0.05887031  0.20004434  0.67568882  1
  O  O62  1  0.92907864  0.11300139  0.06656208  1
  O  O63  1  0.89166240  0.05526314  0.42411869  1
  O  O64  1  0.07092103  0.88699903  0.93343703  1
  O  O65  1  0.10833621  0.94473922  0.57588099  1
  O  O66  1  0.70527411  0.13830801  0.24606093  1
  O  O67  1  0.85887198  0.28585878  0.25780365  1
  O  O68  1  0.29472480  0.86169260  0.75393879  1
  O  O69  1  0.14112686  0.71414282  0.74219579  1
  O  O70  1  0.65526733  0.07809084  0.06426552  1
  O  O71  1  0.91283184  0.33919502  0.44080338  1
  O  O72  1  0.34473322  0.92190568  0.93573556  1
  O  O73  1  0.08716545  0.66080719  0.55919680  1
