# generated using pymatgen
data_MnFe2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.95684614
_cell_length_b   10.95019979
_cell_length_c   10.92535064
_cell_angle_alpha   89.14323446
_cell_angle_beta   88.94097279
_cell_angle_gamma   63.39946198
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFe2H8C14(NO)6
_chemical_formula_sum   'Mn2 Fe4 H16 C28 N12 O12'
_cell_volume   1171.83666828
_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  0.89627124  0.10413273  0.25037658  1
  Mn  Mn1  1  0.10372746  0.89587085  0.74962169  1
  Fe  Fe2  1  0.85774134  0.99107172  -0.00538734  1
  Fe  Fe3  1  0.00951830  0.14241818  0.50564055  1
  Fe  Fe4  1  0.14226046  0.00892526  1.00538742  1
  Fe  Fe5  1  0.99047914  0.85758583  0.49435870  1
  H  H6  1  0.53844252  0.17182250  0.40789914  1
  H  H7  1  0.82704021  0.46215817  0.09342705  1
  H  H8  1  0.46156115  0.82816755  0.59210499  1
  H  H9  1  0.17296334  0.53784259  0.90657010  1
  H  H10  1  0.33671419  0.15945642  0.50939841  1
  H  H11  1  0.83866770  0.66380462  0.99161003  1
  H  H12  1  0.66328511  0.84054028  0.49060345  1
  H  H13  1  0.16134182  0.33619334  0.00838735  1
  H  H14  1  0.42414440  0.07647014  0.05657934  1
  H  H15  1  0.92752735  0.57575512  0.44293375  1
  H  H16  1  0.57585924  0.92352407  0.94342294  1
  H  H17  1  0.07246217  0.42425107  0.55706665  1
  H  H18  1  0.88522521  0.21246180  0.02575865  1
  H  H19  1  0.78795251  0.11544174  0.47507382  1
  H  H20  1  0.11477630  0.78753567  0.97423557  1
  H  H21  1  0.21204516  0.88456277  0.52492352  1
  C  C22  1  0.62176697  0.11962295  0.17024933  1
  C  C23  1  0.88126860  0.37867402  0.33053469  1
  C  C24  1  0.37823547  0.88037067  0.82975372  1
  C  C25  1  0.11872680  0.62132966  0.66946401  1
  C  C26  1  0.49596484  0.12098706  0.22691578  1
  C  C27  1  0.88003807  0.50425324  0.27362202  1
  C  C28  1  0.50403743  0.87900688  0.77308732  1
  C  C29  1  0.11995965  0.49574962  0.72637678  1
  C  C30  1  0.46922472  0.14763803  0.35409946  1
  C  C31  1  0.85202288  0.53121788  0.14684203  1
  C  C32  1  0.53077725  0.85235509  0.64590367  1
  C  C33  1  0.14797952  0.46878311  0.85315587  1
  C  C34  1  0.35798618  0.14105219  0.41182779  1
  C  C35  1  0.85814072  0.64252179  0.08891263  1
  C  C36  1  0.64201350  0.85894461  0.58817415  1
  C  C37  1  0.14186518  0.35747767  0.91108527  1
  C  C38  1  0.27391393  0.10721020  0.33947265  1
  C  C39  1  0.89305980  0.72647739  0.16058189  1
  C  C40  1  0.72608392  0.89279057  0.66052777  1
  C  C41  1  0.10694459  0.27352242  0.83941688  1
  C  C42  1  0.29969985  0.08126482  0.21374320  1
  C  C43  1  0.92098685  0.70002076  0.28577932  1
  C  C44  1  0.70029956  0.91873454  0.78625759  1
  C  C45  1  0.07901306  0.29998103  0.71422027  1
  C  C46  1  0.40833415  0.09196264  0.15478503  1
  C  C47  1  0.91061748  0.59152784  0.34502761  1
  C  C48  1  0.59166788  0.90803283  0.84521714  1
  C  C49  1  0.08937798  0.40847616  0.65497197  1
  N  N50  1  0.16441941  0.08225884  0.36880248  1
  N  N51  1  0.91755256  0.83622145  0.13104836  1
  N  N52  1  0.83557515  0.91774657  0.63119620  1
  N  N53  1  0.08245380  0.16377702  0.86895076  1
  N  N54  1  0.12997553  0.03538489  0.26952551  1
  N  N55  1  0.96610628  0.87010911  0.22953848  1
  N  N56  1  0.87001980  0.96462037  0.73047276  1
  N  N57  1  0.03389658  0.12989152  0.77046185  1
  N  N58  1  0.20622781  0.03850239  0.17423472  1
  N  N59  1  0.96525546  0.79271848  0.32450039  1
  N  N60  1  0.79376856  0.96150161  0.82576460  1
  N  N61  1  0.03474388  0.20728372  0.67549993  1
  O  O62  1  0.93009966  0.11959042  0.05781536  1
  O  O63  1  0.88084613  0.07003255  0.44277265  1
  O  O64  1  0.06990093  0.88040912  0.94218290  1
  O  O65  1  0.11915242  0.92997090  0.55722618  1
  O  O66  1  0.68867182  0.15986975  0.23859043  1
  O  O67  1  0.83958914  0.31220182  0.26301545  1
  O  O68  1  0.31132889  0.84012637  0.76141246  1
  O  O69  1  0.16040686  0.68780174  0.73698183  1
  O  O70  1  0.65480730  0.07583101  0.06078631  1
  O  O71  1  0.92628304  0.34540311  0.43933055  1
  O  O72  1  0.34519608  0.92416114  0.93921738  1
  O  O73  1  0.07371030  0.65460082  0.56066869  1
