# generated using pymatgen
data_FeH24C30(NO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27025611
_cell_length_b   9.52965531
_cell_length_c   9.65479843
_cell_angle_alpha   108.26545921
_cell_angle_beta   104.51654587
_cell_angle_gamma   107.60225023
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH24C30(NO2)4
_chemical_formula_sum   'Fe1 H24 C30 N4 O8'
_cell_volume   636.61922856
_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  0.00000079  0.50000032  0.99999972  1
  H  H1  1  0.93256947  0.76329477  0.82261760  1
  H  H2  1  0.06742889  0.23670550  0.17738340  1
  H  H3  1  0.82198247  0.97273149  0.93451906  1
  H  H4  1  0.17801630  0.02726918  0.06548121  1
  H  H5  1  0.58071889  0.01126330  0.75475638  1
  H  H6  1  0.41927991  0.98873699  0.24524322  1
  H  H7  1  0.45559769  0.84509685  0.46568771  1
  H  H8  1  0.54440132  0.15490275  0.53431230  1
  H  H9  1  0.54678207  0.39953050  0.13259550  1
  H  H10  1  0.45321798  0.60046929  0.86740451  1
  H  H11  1  0.18825176  0.26962578  0.96254055  1
  H  H12  1  0.81174891  0.73037368  0.03745822  1
  H  H13  1  0.19715802  0.05175088  0.75226377  1
  H  H14  1  0.80284365  0.94824885  0.24773510  1
  H  H15  1  0.81434634  0.12739322  0.41564747  1
  H  H16  1  0.18565326  0.87260483  0.58435168  1
  H  H17  1  0.83114255  0.35040961  0.63613403  1
  H  H18  1  0.16885606  0.64958825  0.36386478  1
  H  H19  1  0.94339825  0.58574883  0.58845856  1
  H  H20  1  0.05660123  0.41425149  0.41154182  1
  H  H21  1  0.27904927  0.72687602  0.04087491  1
  H  H22  1  0.72095303  0.27312509  0.95912484  1
  H  H23  1  0.16736182  0.66050539  0.85275701  1
  H  H24  1  0.83264020  0.33949570  0.14724281  1
  C  C25  1  0.82671353  0.78136813  0.74621819  1
  C  C26  1  0.17328512  0.21863225  0.25378216  1
  C  C27  1  0.76337038  0.89627884  0.80786374  1
  C  C28  1  0.23662847  0.10372150  0.19213638  1
  C  C29  1  0.62732184  0.91801720  0.70722044  1
  C  C30  1  0.37267721  0.08198344  0.29277979  1
  C  C31  1  0.55591435  0.82472731  0.54537299  1
  C  C32  1  0.44408514  0.17527319  0.45462728  1
  C  C33  1  0.61422820  0.70477668  0.47791602  1
  C  C34  1  0.38577186  0.29522411  0.52208457  1
  C  C35  1  0.54392813  0.60316570  0.31229190  1
  C  C36  1  0.45607198  0.39683525  0.68770817  1
  C  C37  1  0.60148114  0.48334175  0.25680728  1
  C  C38  1  0.39851841  0.51665834  0.74319274  1
  C  C39  1  0.75233460  0.47593516  0.36121587  1
  C  C40  1  0.24766540  0.52406552  0.63878421  1
  C  C41  1  0.75231102  0.68561870  0.58275976  1
  C  C42  1  0.24768845  0.31438162  0.41724075  1
  C  C43  1  0.40311090  0.62708910  0.20211491  1
  C  C44  1  0.59689002  0.37291173  0.79788464  1
  C  C45  1  0.10725922  0.23603725  0.84050292  1
  C  C46  1  0.89274210  0.76396210  0.15949648  1
  C  C47  1  0.10865459  0.11038507  0.72144711  1
  C  C48  1  0.89134622  0.88961399  0.27855187  1
  C  C49  1  0.00124125  0.06546884  0.56387674  1
  C  C50  1  0.99875869  0.93453000  0.43612235  1
  C  C51  1  0.89775019  0.15316781  0.53487080  1
  C  C52  1  0.10224921  0.84683029  0.46512789  1
  C  C53  1  0.90664460  0.27936538  0.66046851  1
  C  C54  1  0.09335516  0.72063315  0.33953046  1
  N  N55  1  0.81655725  0.57313960  0.51911225  1
  N  N56  1  0.18344167  0.42686016  0.48088775  1
  N  N57  1  0.00848591  0.32127627  0.81233717  1
  N  N58  1  0.99151591  0.67872322  0.18766197  1
  O  O59  1  0.83051554  0.38386193  0.31621248  1
  O  O60  1  0.16948517  0.61613941  0.68378777  1
  O  O61  1  0.45083694  0.75169008  0.17545179  1
  O  O62  1  0.54916429  0.24831054  0.82454777  1
  O  O63  1  0.23752449  0.51621510  0.14099589  1
  O  O64  1  0.76247675  0.48378523  0.85900285  1
  O  O65  1  0.15167836  0.68669151  0.95735067  1
  O  O66  1  0.84832355  0.31330976  0.04264909  1
