# generated using pymatgen
data_FeH28(C13N5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82940730
_cell_length_b   10.36562120
_cell_length_c   10.40004262
_cell_angle_alpha   75.59916062
_cell_angle_beta   72.09235201
_cell_angle_gamma   72.78390814
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH28(C13N5)2
_chemical_formula_sum   'Fe1 H28 C26 N10'
_cell_volume   659.02497001
_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
  Fe  Fe0  1  0.00000014  -0.00000070  0.99999881  1
  H  H1  1  0.93799563  0.06514474  0.71653838  1
  H  H2  1  0.07309142  0.28114232  0.92209994  1
  H  H3  1  0.06200854  0.93485218  0.28345645  1
  H  H4  1  0.92690752  0.71885568  0.07789893  1
  H  H5  1  0.12346008  0.16420363  0.48582162  1
  H  H6  1  0.88754163  0.51195749  0.82685028  1
  H  H7  1  0.87654706  0.83579557  0.51417460  1
  H  H8  1  0.11245735  0.48804076  0.17315042  1
  H  H9  1  0.64969095  0.12938421  0.65186069  1
  H  H10  1  0.34615703  0.34658839  0.88947517  1
  H  H11  1  0.35030637  0.87062009  0.34814258  1
  H  H12  1  0.65384075  0.65341168  0.11052510  1
  H  H13  1  0.45175262  0.02941105  0.87496547  1
  H  H14  1  0.54319093  0.12450633  0.98657562  1
  H  H15  1  0.54824070  0.97059219  0.12503621  1
  H  H16  1  0.45680499  0.87549393  0.01342503  1
  H  H17  1  0.52088508  0.15700167  0.33673920  1
  H  H18  1  0.48505435  0.66052418  0.84572694  1
  H  H19  1  0.47911634  0.84299837  0.66326110  1
  H  H20  1  0.51494175  0.33947479  0.15427431  1
  H  H21  1  0.68143004  0.21092610  0.40718156  1
  H  H22  1  0.32159272  0.58755223  0.79731611  1
  H  H23  1  0.31857470  0.78907351  0.59281683  1
  H  H24  1  0.67840740  0.41244666  0.20268157  1
  H  H25  1  0.23700532  0.37473629  0.37538965  1
  H  H26  1  0.76299671  0.62526392  0.62461356  1
  H  H27  1  0.41027381  0.43442528  0.42994258  1
  H  H28  1  0.58973202  0.56557484  0.57005701  1
  C  C29  1  0.09645285  0.07922886  0.69889214  1
  C  C30  1  0.91138351  0.29934389  0.91467042  1
  C  C31  1  0.90354962  0.92076987  0.30110444  1
  C  C32  1  0.08861531  0.70065417  0.08532844  1
  C  C33  1  0.20040130  0.13701413  0.57015745  1
  C  C34  1  0.80790957  0.42757895  0.85824243  1
  C  C35  1  0.79960276  0.86298526  0.42984006  1
  C  C36  1  0.19208911  0.57241953  0.14175765  1
  C  C37  1  0.40280170  0.15578460  0.55005693  1
  C  C38  1  0.60176956  0.44745664  0.84715999  1
  C  C39  1  0.59720119  0.84421564  0.44994252  1
  C  C40  1  0.39822882  0.55254260  0.15284032  1
  C  C41  1  0.49280675  0.11606377  0.66168815  1
  C  C42  1  0.50737035  0.33636371  0.89448819  1
  C  C43  1  0.50719267  0.88393851  0.33831280  1
  C  C44  1  0.49262761  0.66363580  0.10551207  1
  C  C45  1  0.38136178  0.05835113  0.78782274  1
  C  C46  1  0.61855155  0.21070440  0.95038205  1
  C  C47  1  0.61863594  0.94165063  0.21217721  1
  C  C48  1  0.38144642  0.78929470  0.04961753  1
  C  C49  1  0.51599481  0.21829912  0.41069003  1
  C  C50  1  0.48775212  0.58586370  0.78589948  1
  C  C51  1  0.48400908  0.78170088  0.58930969  1
  C  C52  1  0.51224708  0.41413572  0.21410033  1
  C  C53  1  0.40553190  0.36703432  0.36431802  1
  C  C54  1  0.59447099  0.63296581  0.63568264  1
  N  N55  1  0.84278484  0.91480822  0.91834726  1
  N  N56  1  0.15722023  0.08519465  0.08165543  1
  N  N57  1  0.88812468  0.83622525  0.84018271  1
  N  N58  1  0.11187358  0.16377714  0.15982026  1
  N  N59  1  0.93006899  0.76050050  0.76318527  1
  N  N60  1  0.06991959  0.23950369  0.23682028  1
  N  N61  1  0.18436315  0.04119552  0.80772615  1
  N  N62  1  0.81940506  0.19081303  0.95920052  1
  N  N63  1  0.81563740  0.95880321  0.19227136  1
  N  N64  1  0.18059445  0.80918479  0.04079705  1
