# generated using pymatgen
data_CrFeH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86799977
_cell_length_b   11.62909228
_cell_length_c   12.29981443
_cell_angle_alpha   118.36609654
_cell_angle_beta   100.13962896
_cell_angle_gamma   89.90059709
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeH28C32(NO3)4
_chemical_formula_sum   'Cr1 Fe1 H28 C32 N4 O12'
_cell_volume   970.44278615
_cell_formula_units_Z   1
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  0.99999896  0.99999936  0.49999875  1
  Fe  Fe1  1  0.50000180  0.50000079  0.50000131  1
  H  H2  1  0.83558929  0.90626932  0.61502819  1
  H  H3  1  0.65884268  0.28090337  0.37627043  1
  H  H4  1  0.16440890  0.09372924  0.38496980  1
  H  H5  1  0.34116098  0.71909786  0.62373104  1
  H  H6  1  0.02301271  0.84590766  0.60933118  1
  H  H7  1  0.47382548  0.22544813  0.37976687  1
  H  H8  1  0.97698730  0.15409253  0.39066762  1
  H  H9  1  0.52617742  0.77455230  0.62023415  1
  H  H10  1  0.76615738  0.94264135  0.25534005  1
  H  H11  1  0.73215107  0.68823908  0.74824451  1
  H  H12  1  0.23384148  0.05735836  0.74465785  1
  H  H13  1  0.26785029  0.31176249  0.25176161  1
  H  H14  1  0.57781852  0.75422062  0.07856639  1
  H  H15  1  0.92059861  0.67667034  0.92531805  1
  H  H16  1  0.42218165  0.24577953  0.92143006  1
  H  H17  1  0.07939916  0.32332942  0.07468825  1
  H  H18  1  0.79473125  0.51307002  0.24096222  1
  H  H19  1  0.70769941  0.27097954  0.75812010  1
  H  H20  1  0.20526286  0.48692910  0.75903485  1
  H  H21  1  0.29230133  0.72901849  0.24187895  1
  H  H22  1  0.98862906  0.70679967  0.40363928  1
  H  H23  1  0.51496528  0.30308998  0.59544879  1
  H  H24  1  0.01136497  0.29319884  0.59635878  1
  H  H25  1  0.48503781  0.69691046  0.40455113  1
  H  H26  1  0.57222491  0.41175104  0.05565579  1
  H  H27  1  0.93074580  0.35501636  0.94340032  1
  H  H28  1  0.42777182  0.58824877  0.94434069  1
  H  H29  1  0.06925246  0.64498105  0.05660154  1
  C  C30  1  0.76904653  0.84559159  0.24811072  1
  C  C31  1  0.73056934  0.59799172  0.75451822  1
  C  C32  1  0.23095191  0.15440774  0.75188672  1
  C  C33  1  0.26943189  0.40200924  0.24548665  1
  C  C34  1  0.66339745  0.73978073  0.15016279  1
  C  C35  1  0.83625774  0.59029009  0.85263740  1
  C  C36  1  0.33660106  0.26021878  0.84983397  1
  C  C37  1  0.16374168  0.40970978  0.14736730  1
  C  C38  1  0.66795527  0.61594849  0.14548095  1
  C  C39  1  0.83246072  0.47009513  0.85520632  1
  C  C40  1  0.33204150  0.38405105  0.85451558  1
  C  C41  1  0.16753876  0.52990362  0.14479628  1
  C  C42  1  0.78657434  0.60650973  0.24051214  1
  C  C43  1  0.71526575  0.36509918  0.75918211  1
  C  C44  1  0.21342095  0.39348953  0.75948498  1
  C  C45  1  0.28473499  0.63489962  0.24081874  1
  C  C46  1  0.89196469  0.71548808  0.33322271  1
  C  C47  1  0.61041158  0.38245516  0.66693589  1
  C  C48  1  0.10803052  0.28451069  0.66677493  1
  C  C49  1  0.38959062  0.61754508  0.33306526  1
  C  C50  1  0.62237168  0.03242871  0.49980032  1
  C  C51  1  0.87806437  0.53391662  0.49541878  1
  C  C52  1  0.37762651  0.96757228  0.50020029  1
  C  C53  1  0.12193919  0.46608488  0.50458361  1
  C  C54  1  0.55461819  0.94325894  0.53863923  1
  C  C55  1  0.94340025  0.40422286  0.45860888  1
  C  C56  1  0.44538027  0.05674205  0.46136136  1
  C  C57  1  0.05660314  0.59577866  0.54139359  1
  C  C58  1  0.55890047  0.50155126  0.04856717  1
  C  C59  1  0.94194187  0.45240986  0.95136582  1
  C  C60  1  0.44109628  0.49844859  0.95142913  1
  C  C61  1  0.05805667  0.54758789  0.04863656  1
  N  N62  1  0.88075497  0.83552444  0.34087439  1
  N  N63  1  0.62227188  0.49503167  0.66125180  1
  N  N64  1  0.11924249  0.16447440  0.65912321  1
  N  N65  1  0.37773103  0.50496957  0.33875114  1
  O  O66  1  0.96123474  0.92290388  0.61363053  1
  O  O67  1  0.53483319  0.29845637  0.37695077  1
  O  O68  1  0.03876325  0.07709506  0.38636700  1
  O  O69  1  0.46517032  0.70154496  0.62305186  1
  O  O70  1  0.77212780  0.08324456  0.51064557  1
  O  O71  1  0.73390018  0.57889390  0.48686417  1
  O  O72  1  0.22787060  0.91675443  0.48935206  1
  O  O73  1  0.26610319  0.42110769  0.51313860  1
  O  O74  1  0.62843008  0.89025089  0.60152330  1
  O  O75  1  0.87468839  0.28701157  0.40078480  1
  O  O76  1  0.37156918  0.10974991  0.39847693  1
  O  O77  1  0.12531491  0.71298972  0.59921432  1
