# generated using pymatgen
data_FeH20C20(N2O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06087425
_cell_length_b   12.22809732
_cell_length_c   11.36316523
_cell_angle_alpha   79.72325769
_cell_angle_beta   80.90396937
_cell_angle_gamma   70.73463494
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH20C20(N2O)4
_chemical_formula_sum   'Fe2 H40 C40 N16 O8'
_cell_volume   1034.41937100
_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  0.00000120  -0.00000061  -0.00000116  1
  Fe  Fe1  1  0.49999793  0.50000235  0.50000082  1
  H  H2  1  0.23421112  0.43697897  0.83396881  1
  H  H3  1  0.76579152  0.56301848  0.16603527  1
  H  H4  1  0.81791629  0.37266167  0.09603718  1
  H  H5  1  0.18208606  0.62733623  0.90396653  1
  H  H6  1  0.70518625  0.09826738  0.82389854  1
  H  H7  1  0.29481728  0.90173112  0.17609901  1
  H  H8  1  0.65927446  0.09949459  0.19149054  1
  H  H9  1  0.34072807  0.90050543  0.80850626  1
  H  H10  1  0.33781680  0.20906781  0.11739184  1
  H  H11  1  0.66218515  0.79092983  0.88260486  1
  H  H12  1  0.37598529  0.18672816  0.88055462  1
  H  H13  1  0.62401723  0.81326840  0.11944203  1
  H  H14  1  0.09302114  0.15662294  0.76111962  1
  H  H15  1  0.90697821  0.84337919  0.23888395  1
  H  H16  1  0.97526479  0.84059366  0.81695162  1
  H  H17  1  0.02474444  0.15940490  0.18303947  1
  H  H18  1  0.09187591  0.87821835  0.58185457  1
  H  H19  1  0.90813854  0.12178674  0.41813817  1
  H  H20  1  0.14620421  0.08782616  0.54931221  1
  H  H21  1  0.85380191  0.91218051  0.45068927  1
  H  H22  1  0.42401133  0.19275994  0.37128135  1
  H  H23  1  0.57598873  0.80724420  0.62871672  1
  H  H24  1  0.62206635  0.97736431  0.69345183  1
  H  H25  1  0.37793943  0.02263867  0.30654416  1
  H  H26  1  0.36868203  0.69874940  0.28615770  1
  H  H27  1  0.63130844  0.30125505  0.71384402  1
  H  H28  1  0.55753658  0.33540819  0.30546248  1
  H  H29  1  0.44246840  0.66459682  0.69454031  1
  H  H30  1  0.42437215  0.41800702  0.09170681  1
  H  H31  1  0.57563191  0.58199414  0.90829507  1
  H  H32  1  0.31245456  0.65374946  0.08177186  1
  H  H33  1  0.68753026  0.34625196  0.91823180  1
  H  H34  1  0.21918584  0.39107464  0.63990575  1
  H  H35  1  0.78081774  0.60892803  0.36009445  1
  H  H36  1  0.15876351  0.72377832  0.45991545  1
  H  H37  1  0.84122420  0.27622648  0.54008730  1
  H  H38  1  0.83610417  0.71645792  0.56528727  1
  H  H39  1  0.16388617  0.28353907  0.43471413  1
  H  H40  1  0.89191849  0.50169116  0.69443271  1
  H  H41  1  0.10808283  0.49830561  0.30556944  1
  C  C42  1  0.04776356  0.27928976  0.91002523  1
  C  C43  1  0.95223773  0.72070917  0.08997712  1
  C  C44  1  0.02629477  0.39192363  0.95773642  1
  C  C45  1  0.97370652  0.60807470  0.04226670  1
  C  C46  1  0.12966753  0.46430257  0.90629994  1
  C  C47  1  0.87033461  0.53569533  0.09370371  1
  C  C48  1  0.89809019  0.42850417  0.05341530  1
  C  C49  1  0.10191226  0.57149360  0.94658855  1
  C  C50  1  0.62467855  0.10999791  0.10120133  1
  C  C51  1  0.37532345  0.89000084  0.89879590  1
  C  C52  1  0.45801195  0.16523470  0.06329615  1
  C  C53  1  0.54198979  0.83476283  0.93670078  1
  C  C54  1  0.47603640  0.15555798  0.94241589  1
  C  C55  1  0.52396585  0.84443873  0.05758145  1
  C  C56  1  0.01196131  0.91582999  0.77056254  1
  C  C57  1  0.98804494  0.08417013  0.22943166  1
  C  C58  1  0.07005551  0.93596203  0.64960280  1
  C  C59  1  0.92995265  0.06404242  0.35039199  1
  C  C60  1  0.10290508  0.04198833  0.63289112  1
  C  C61  1  0.89709949  0.95801634  0.36710793  1
  C  C62  1  0.54380093  0.20280945  0.58022617  1
  C  C63  1  0.45619739  0.79719448  0.41977297  1
  C  C64  1  0.52146634  0.09846906  0.53872915  1
  C  C65  1  0.47853572  0.90153452  0.46126810  1
  C  C66  1  0.45440671  0.10866917  0.42930025  1
  C  C67  1  0.54559546  0.89133456  0.57069692  1
  C  C68  1  0.56772958  0.98815710  0.60848708  1
  C  C69  1  0.43227399  0.01184640  0.39150947  1
  C  C70  1  0.49144681  0.42548635  0.27141238  1
  C  C71  1  0.50855400  0.57451832  0.72858959  1
  C  C72  1  0.43056269  0.46882653  0.15977337  1
  C  C73  1  0.56943615  0.53117675  0.84022981  1
  C  C74  1  0.36739188  0.58913359  0.15571432  1
  C  C75  1  0.63259953  0.41086853  0.84428895  1
  C  C76  1  0.12744443  0.65263622  0.52056306  1
  C  C77  1  0.87254715  0.34736707  0.47943998  1
  C  C78  1  0.96274515  0.64904142  0.57644340  1
  C  C79  1  0.03724810  0.35095820  0.42355944  1
  C  C80  1  0.98880553  0.53894085  0.64124226  1
  C  C81  1  0.01119356  0.46105849  0.35875973  1
  N  N82  1  0.74216629  0.06859287  0.00764687  1
  N  N83  1  0.25783608  0.93140551  0.99235074  1
  N  N84  1  0.64597711  0.09525684  0.91083151  1
  N  N85  1  0.35402558  0.90474092  0.08916567  1
  N  N86  1  0.01044518  1.00550665  0.82656421  1
  N  N87  1  0.98955688  -0.00550750  0.17343374  1
  N  N88  1  0.06726816  0.08278448  0.73924500  1
  N  N89  1  0.93273207  0.91721809  0.26075569  1
  N  N90  1  0.46193908  0.51543082  0.33494826  1
  N  N91  1  0.53805661  0.48457417  0.66505425  1
  N  N92  1  0.38410868  0.61547010  0.26219666  1
  N  N93  1  0.61588014  0.38453356  0.73780618  1
  N  N94  1  0.25065877  0.54791404  0.54899522  1
  N  N95  1  0.74933691  0.45209076  0.45100679  1
  N  N96  1  0.16251567  0.48012744  0.62599572  1
  N  N97  1  0.83748413  0.51987491  0.37400635  1
  O  O98  1  0.98803077  0.20303912  0.97806338  1
  O  O99  1  0.01197016  0.79695955  0.02193776  1
  O  O100  1  0.12295324  0.26916519  0.80298310  1
  O  O101  1  0.87704927  0.73083386  0.19701930  1
  O  O102  1  0.46196736  0.30484297  0.53131933  1
  O  O103  1  0.53802798  0.69516130  0.46868229  1
  O  O104  1  0.64599510  0.18127210  0.66210688  1
  O  O105  1  0.35400295  0.81873149  0.33789280  1
