# generated using pymatgen
data_CrFeH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40866784
_cell_length_b   9.52646253
_cell_length_c   9.53017230
_cell_angle_alpha   81.78808707
_cell_angle_beta   75.39354871
_cell_angle_gamma   75.79079956
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeH20C28(N3O2)4
_chemical_formula_sum   'Cr1 Fe1 H20 C28 N12 O8'
_cell_volume   798.31800087
_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  0.73910507  0.95108937  0.71343752  1
  Fe  Fe1  1  0.24009906  0.71633348  0.94456136  1
  H  H2  1  0.38620098  0.01368833  0.61234109  1
  H  H3  1  0.88929109  0.61117851  0.02489826  1
  H  H4  1  0.59879251  0.48690533  0.77864230  1
  H  H5  1  0.10351018  0.77063632  0.48664417  1
  H  H6  1  0.87204416  0.87764256  0.17985667  1
  H  H7  1  0.36825449  0.17793403  0.88084426  1
  H  H8  1  0.07829025  0.30964617  0.24771048  1
  H  H9  1  0.57950092  0.24481450  0.29692095  1
  H  H10  1  0.59050233  0.92416017  0.08487191  1
  H  H11  1  0.08266305  0.08648253  0.92381044  1
  H  H12  1  0.96142675  0.11244727  0.40457921  1
  H  H13  1  0.46558185  0.40776936  0.10307429  1
  H  H14  1  0.78782118  0.62914324  0.53675628  1
  H  H15  1  0.29585102  0.52776672  0.62476885  1
  H  H16  1  0.21070396  0.03087978  0.44937784  1
  H  H17  1  0.70962094  0.45456340  0.03223258  1
  H  H18  1  0.31094064  0.98442934  0.18758212  1
  H  H19  1  0.80424870  0.19327800  0.98249076  1
  H  H20  1  0.98631730  0.56664708  0.30930044  1
  H  H21  1  0.49210943  0.30152679  0.55569100  1
  C  C22  1  0.42829780  0.99383133  0.49810350  1
  C  C23  1  0.92889814  0.49767146  0.00216326  1
  C  C24  1  0.45221263  0.90236400  0.86137075  1
  C  C25  1  0.93672386  0.86933911  0.90162428  1
  C  C26  1  0.55414772  0.75056015  0.83154891  1
  C  C27  1  0.03476511  0.82784607  0.75090739  1
  C  C28  1  0.98984869  0.33604890  0.34529391  1
  C  C29  1  0.49310397  0.34261213  0.32583356  1
  C  C30  1  0.54373304  0.94263885  0.19886766  1
  C  C31  1  0.03822827  0.19995504  0.94436816  1
  C  C32  1  0.82274431  0.26075315  0.56099314  1
  C  C33  1  0.32811848  0.56050326  0.25621917  1
  C  C34  1  0.93026502  0.22436614  0.43320708  1
  C  C35  1  0.43442951  0.43348835  0.21612287  1
  C  C36  1  0.82824092  0.51793005  0.50681515  1
  C  C37  1  0.33543364  0.50047838  0.51252484  1
  C  C38  1  0.77218352  0.40507144  0.59579458  1
  C  C39  1  0.27921250  0.59189564  0.40195975  1
  C  C40  1  0.63910484  0.93196125  0.29295547  1
  C  C41  1  0.13605249  0.29079562  0.93799637  1
  C  C42  1  0.33203540  0.00340880  0.40550214  1
  C  C43  1  0.83038683  0.40838447  0.00660374  1
  C  C44  1  0.38862558  0.97817516  0.25730545  1
  C  C45  1  0.88376114  0.26082360  0.97862242  1
  C  C46  1  0.93865343  0.48125308  0.38079749  1
  C  C47  1  0.44410064  0.37496504  0.47228786  1
  C  C48  1  0.58328307  0.95806860  0.43944092  1
  C  C49  1  0.08332545  0.43640136  0.96781098  1
  N  N50  1  0.83302108  0.91649901  0.39621381  1
  N  N51  1  0.33191647  0.39088177  0.92714715  1
  N  N52  1  0.64807308  0.26347045  0.76750726  1
  N  N53  1  0.15525237  0.76598791  0.26334694  1
  N  N54  1  0.70868987  0.94613910  0.49836417  1
  N  N55  1  0.20950867  0.49271491  0.95808359  1
  N  N56  1  0.66579216  0.39801477  0.72390839  1
  N  N57  1  0.17539246  0.72111986  0.39783610  1
  N  N58  1  0.74353775  0.17744072  0.67221885  1
  N  N59  1  0.24972062  0.67324381  0.17585230  1
  N  N60  1  0.79272068  0.90472596  0.27539813  1
  N  N61  1  0.28962419  0.27039072  0.91407169  1
  O  O62  1  0.49312298  0.64239603  0.86926231  1
  O  O63  1  0.96691438  0.86779393  0.64555372  1
  O  O64  1  0.51598126  0.01002434  0.81314172  1
  O  O65  1  0.99604202  0.82942044  0.00996651  1
  O  O66  1  0.31680768  0.91210274  0.92650128  1
  O  O67  1  0.80219348  0.94067877  0.90481204  1
  O  O68  1  0.69099413  0.74822652  0.76759044  1
  O  O69  1  0.16854467  0.75953336  0.74115172  1
