# generated using pymatgen
data_Mn2FeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.99797771
_cell_length_b   10.98188247
_cell_length_c   10.96601869
_cell_angle_alpha   89.06273850
_cell_angle_beta   88.89232405
_cell_angle_gamma   63.24081369
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeH8C14(NO)6
_chemical_formula_sum   'Mn4 Fe2 H16 C28 N12 O12'
_cell_volume   1182.35419815
_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
  Mn  Mn0  1  0.89726052  0.10601071  0.25300820  1
  Mn  Mn1  1  0.10273814  0.89399236  0.74699016  1
  Mn  Mn2  1  0.85149404  1.00063027  -0.00696472  1
  Fe  Fe3  1  0.00681822  0.14313046  0.50793304  1
  Mn  Mn4  1  0.14850726  -0.00063116  1.00696489  1
  Fe  Fe5  1  0.99317743  0.85687397  0.49206725  1
  H  H6  1  0.53921114  0.17537053  0.40876738  1
  H  H7  1  0.82390054  0.46274208  0.09854796  1
  H  H8  1  0.46079296  0.82462001  0.59123597  1
  H  H9  1  0.17610274  0.53725834  0.90144926  1
  H  H10  1  0.33951414  0.16411834  0.51313351  1
  H  H11  1  0.83892233  0.66064302  0.99464663  1
  H  H12  1  0.66048586  0.83587903  0.48686813  1
  H  H13  1  0.16108712  0.33935429  0.00535070  1
  H  H14  1  0.42336766  0.07372102  0.06267843  1
  H  H15  1  0.92652230  0.57709418  0.44481460  1
  H  H16  1  0.57663526  0.92627282  0.93732363  1
  H  H17  1  0.07346964  0.42291061  0.55518534  1
  H  H18  1  0.89722879  0.21681887  0.03480714  1
  H  H19  1  0.78796745  0.11365208  0.47483955  1
  H  H20  1  0.10277075  0.78318292  0.96518931  1
  H  H21  1  0.21202906  0.88635283  0.52515613  1
  C  C22  1  0.62101149  0.11880777  0.17059907  1
  C  C23  1  0.87927413  0.37983116  0.33499557  1
  C  C24  1  0.37899146  0.88118517  0.82940374  1
  C  C25  1  0.12072127  0.62017250  0.66500303  1
  C  C26  1  0.49634248  0.12131746  0.23002348  1
  C  C27  1  0.87915259  0.50427261  0.27715414  1
  C  C28  1  0.50365957  0.87867685  0.76997885  1
  C  C29  1  0.12084526  0.49572993  0.72284445  1
  C  C30  1  0.47033531  0.14995026  0.35661114  1
  C  C31  1  0.85093555  0.53054700  0.15074819  1
  C  C32  1  0.52966686  0.85004361  0.64339119  1
  C  C33  1  0.14906680  0.46945364  0.84924949  1
  C  C34  1  0.35971416  0.14442105  0.41596766  1
  C  C35  1  0.85856935  0.64011182  0.09158228  1
  C  C36  1  0.64028610  0.85557599  0.58403407  1
  C  C37  1  0.14143656  0.35988715  0.90841519  1
  C  C38  1  0.27538250  0.10932149  0.34617905  1
  C  C39  1  0.89419139  0.72405730  0.16174906  1
  C  C40  1  0.72461602  0.89067876  0.65382178  1
  C  C41  1  0.10581341  0.27594164  0.83824992  1
  C  C42  1  0.30152947  0.08044377  0.22115978  1
  C  C43  1  0.92035677  0.69927828  0.28703516  1
  C  C44  1  0.69846954  0.91955574  0.77884116  1
  C  C45  1  0.07964251  0.30072339  0.71296454  1
  C  C46  1  0.40863010  0.09113882  0.16026093  1
  C  C47  1  0.91002337  0.59168641  0.34714605  1
  C  C48  1  0.59137126  0.90885668  0.83974096  1
  C  C49  1  0.08997245  0.40831701  0.65285374  1
  N  N50  1  0.16567446  0.08527643  0.37590537  1
  N  N51  1  0.91969429  0.83200503  0.13031894  1
  N  N52  1  0.83432201  0.91472705  0.62409463  1
  N  N53  1  0.08031406  0.16799168  0.86967974  1
  N  N54  1  0.13270639  0.03608118  0.27725688  1
  N  N55  1  0.96293120  0.86995356  0.22840545  1
  N  N56  1  0.86728861  0.96392454  0.72274286  1
  N  N57  1  0.03707130  0.13004664  0.77159476  1
  N  N58  1  0.21072836  0.03540515  0.18301018  1
  N  N59  1  0.96180098  0.79378122  0.32506659  1
  N  N60  1  0.78926826  0.96459792  0.81698973  1
  N  N61  1  0.03819799  0.20622113  0.67493358  1
  O  O62  1  0.93484937  0.12269766  0.06373260  1
  O  O63  1  0.88096340  0.06965328  0.44302112  1
  O  O64  1  0.06514966  0.87730457  0.93626512  1
  O  O65  1  0.11903428  0.93035012  0.55697790  1
  O  O66  1  0.69136073  0.15643614  0.23613132  1
  O  O67  1  0.83535692  0.31465656  0.26918639  1
  O  O68  1  0.30863851  0.84356357  0.76386937  1
  O  O69  1  0.16463977  0.68534705  0.73081113  1
  O  O70  1  0.64998305  0.07600252  0.06081770  1
  O  O71  1  0.92558079  0.34602711  0.44300678  1
  O  O72  1  0.35002300  0.92398441  0.93918718  1
  O  O73  1  0.07441209  0.65397739  0.55699297  1
