# generated using pymatgen
data_CrFeCoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88185641
_cell_length_b   10.88396668
_cell_length_c   10.86741756
_cell_angle_alpha   89.21773256
_cell_angle_beta   88.95678028
_cell_angle_gamma   63.68363835
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeCoH8C14(NO)6
_chemical_formula_sum   'Cr2 Fe2 Co2 H16 C28 N12 O12'
_cell_volume   1153.50249725
_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  0.90400201  0.10009669  0.25862116  1
  Fe  Fe1  1  0.09599715  0.89990637  0.74137643  1
  Cr  Cr2  1  0.85799801  0.98921703  -0.00239220  1
  Co  Co3  1  0.01767772  0.14163933  0.50365851  1
  Cr  Cr4  1  0.14200353  0.01078176  1.00239197  1
  Co  Co5  1  0.98231884  0.85836492  0.49634098  1
  H  H6  1  0.54075624  0.16820513  0.41121951  1
  H  H7  1  0.82991607  0.46421888  0.08735947  1
  H  H8  1  0.45924655  0.83178446  0.58878493  1
  H  H9  1  0.17008869  0.53578202  0.91263715  1
  H  H10  1  0.33671218  0.15634496  0.50996627  1
  H  H11  1  0.84207621  0.66797362  0.98883689  1
  H  H12  1  0.66328488  0.84365291  0.49003500  1
  H  H13  1  0.15793169  0.33202648  0.01116104  1
  H  H14  1  0.42729631  0.07600620  0.05491672  1
  H  H15  1  0.92832888  0.57460621  0.44197781  1
  H  H16  1  0.57270535  0.92398998  0.94508522  1
  H  H17  1  0.07166314  0.42539837  0.55802295  1
  H  H18  1  0.89345912  0.20772584  0.03750936  1
  H  H19  1  0.78563639  0.12619915  0.47235634  1
  H  H20  1  0.10654197  0.79227536  0.96248769  1
  H  H21  1  0.21436073  0.87380503  0.52763948  1
  C  C22  1  0.62859705  0.11680517  0.17356554  1
  C  C23  1  0.88207971  0.37767634  0.32552420  1
  C  C24  1  0.37140574  0.88318638  0.82643862  1
  C  C25  1  0.11791614  0.62232804  0.67447389  1
  C  C26  1  0.50149478  0.11695571  0.22771204  1
  C  C27  1  0.88212926  0.50425457  0.26984672  1
  C  C28  1  0.49850773  0.88303712  0.77229144  1
  C  C29  1  0.11786836  0.49574900  0.73015180  1
  C  C30  1  0.47233543  0.14328962  0.35571893  1
  C  C31  1  0.85527019  0.53269575  0.14261745  1
  C  C32  1  0.52766617  0.85670255  0.64428446  1
  C  C33  1  0.14473224  0.46730601  0.85738010  1
  C  C34  1  0.35861813  0.13836633  0.41194585  1
  C  C35  1  0.86049975  0.64635689  0.08678008  1
  C  C36  1  0.64138091  0.86162992  0.58805602  1
  C  C37  1  0.13950525  0.35364387  0.91321801  1
  C  C38  1  0.27136850  0.10953547  0.33738857  1
  C  C39  1  0.89169131  0.73215516  0.16148792  1
  C  C40  1  0.72862987  0.89046330  0.66261150  1
  C  C41  1  0.10831332  0.26784434  0.83851205  1
  C  C42  1  0.29682357  0.08896635  0.21034854  1
  C  C43  1  0.91732699  0.70484300  0.28743240  1
  C  C44  1  0.70317722  0.91103040  0.78965210  1
  C  C45  1  0.08267228  0.29515928  0.71256818  1
  C  C46  1  0.41121488  0.09184037  0.15345607  1
  C  C47  1  0.91086680  0.59204578  0.34380697  1
  C  C48  1  0.58878735  0.90815408  0.84654592  1
  C  C49  1  0.08912868  0.40795810  0.65619310  1
  N  N50  1  0.15733416  0.08854859  0.36360836  1
  N  N51  1  0.91417896  0.84473967  0.13579607  1
  N  N52  1  0.84265986  0.91145747  0.63638944  1
  N  N53  1  0.08582888  0.15525703  0.86420222  1
  N  N54  1  0.12285179  0.04489945  0.26232043  1
  N  N55  1  0.96084535  0.87901933  0.23705694  1
  N  N56  1  0.87714200  0.95510762  0.73767712  1
  N  N57  1  0.03915917  0.12097976  0.76294293  1
  N  N58  1  0.19576580  0.05891638  0.16617257  1
  N  N59  1  0.95476820  0.80221320  0.33129716  1
  N  N60  1  0.80423205  0.94108632  0.83382599  1
  N  N61  1  0.04523149  0.19778880  0.66870308  1
  O  O62  1  0.94002317  0.11145953  0.06224516  1
  O  O63  1  0.88084101  0.07500313  0.44592590  1
  O  O64  1  0.05997733  0.88854180  0.93775176  1
  O  O65  1  0.11915738  0.92500053  0.55407336  1
  O  O66  1  0.69683003  0.15448537  0.24301775  1
  O  O67  1  0.85000423  0.30624713  0.25265870  1
  O  O68  1  0.30317021  0.84551042  0.75698578  1
  O  O69  1  0.14998992  0.69375801  0.74733970  1
  O  O70  1  0.66222779  0.07761825  0.06062975  1
  O  O71  1  0.91622508  0.34935357  0.43778518  1
  O  O72  1  0.33777631  0.92237143  0.93937545  1
  O  O73  1  0.08377106  0.65065039  0.56221248  1
