# generated using pymatgen
data_MnFeCoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.92947237
_cell_length_b   10.92027220
_cell_length_c   10.89354309
_cell_angle_alpha   89.17388021
_cell_angle_beta   89.00544958
_cell_angle_gamma   63.53044229
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeCoH8C14(NO)6
_chemical_formula_sum   'Mn2 Fe2 Co2 H16 C28 N12 O12'
_cell_volume   1163.67160523
_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  0.89383866  0.10482328  0.24791440  1
  Mn  Mn1  1  0.10615963  0.89517888  0.75208406  1
  Co  Co2  1  0.85979256  0.98228358  -0.00573143  1
  Fe  Fe3  1  0.00968307  0.14213023  0.50436054  1
  Co  Co4  1  0.14020885  0.01771535  1.00573122  1
  Fe  Fe5  1  0.99031308  0.85787409  0.49563886  1
  H  H6  1  0.53772421  0.16855979  0.40804154  1
  H  H7  1  0.82923903  0.46181533  0.09018672  1
  H  H8  1  0.46228020  0.83142926  0.59196125  1
  H  H9  1  0.17076481  0.53818513  0.90981064  1
  H  H10  1  0.33440352  0.15682390  0.50807463  1
  H  H11  1  0.83932860  0.66476315  0.98881149  1
  H  H12  1  0.66559658  0.84317309  0.49192739  1
  H  H13  1  0.16068003  0.33523507  0.01118594  1
  H  H14  1  0.42339633  0.07653048  0.05393202  1
  H  H15  1  0.92838111  0.57601623  0.44134449  1
  H  H16  1  0.57660502  0.92346402  0.94607015  1
  H  H17  1  0.07161081  0.42398952  0.55865580  1
  H  H18  1  0.87467618  0.20849141  0.02080865  1
  H  H19  1  0.78718005  0.11571762  0.47411746  1
  H  H20  1  0.12532548  0.79150834  0.97918765  1
  H  H21  1  0.21281635  0.88428831  0.52587984  1
  C  C22  1  0.62065338  0.11981380  0.16946789  1
  C  C23  1  0.88118629  0.37917514  0.32872951  1
  C  C24  1  0.37934818  0.88018007  0.83053433  1
  C  C25  1  0.11880929  0.62082850  0.67126906  1
  C  C26  1  0.49469699  0.11990341  0.22566329  1
  C  C27  1  0.87995335  0.50505379  0.27153017  1
  C  C28  1  0.50530481  0.88009020  0.77433900  1
  C  C29  1  0.12004468  0.49494891  0.72846862  1
  C  C30  1  0.46804719  0.14537434  0.35332205  1
  C  C31  1  0.85259207  0.53199833  0.14427283  1
  C  C32  1  0.53195515  0.85461827  0.64668044  1
  C  C33  1  0.14741041  0.46800249  0.85572517  1
  C  C34  1  0.35599778  0.13910051  0.41019643  1
  C  C35  1  0.85774561  0.64432980  0.08663198  1
  C  C36  1  0.64400266  0.86089574  0.58980564  1
  C  C37  1  0.14226021  0.35566950  0.91336598  1
  C  C38  1  0.27155420  0.10662169  0.33640444  1
  C  C39  1  0.89043410  0.73002793  0.15903007  1
  C  C40  1  0.72844420  0.89337836  0.66359695  1
  C  C41  1  0.10957098  0.26997104  0.84096864  1
  C  C42  1  0.29682547  0.08202089  0.21002136  1
  C  C43  1  0.91786101  0.70302213  0.28472205  1
  C  C44  1  0.70317337  0.91797855  0.78998013  1
  C  C45  1  0.08213904  0.29697961  0.71527743  1
  C  C46  1  0.40701378  0.09186243  0.15230173  1
  C  C47  1  0.90977986  0.59286473  0.34341496  1
  C  C48  1  0.59298725  0.90813287  0.84770016  1
  C  C49  1  0.09021601  0.40713904  0.65658461  1
  N  N50  1  0.16152638  0.08219041  0.36497764  1
  N  N51  1  0.91621478  0.83999645  0.13067038  1
  N  N52  1  0.83846853  0.91781500  0.63502240  1
  N  N53  1  0.08379391  0.16000021  0.86932771  1
  N  N54  1  0.12591672  0.03740953  0.26486461  1
  N  N55  1  0.96479135  0.87273303  0.22978520  1
  N  N56  1  0.87407755  0.96259706  0.73513489  1
  N  N57  1  0.03521261  0.12726654  0.77021482  1
  N  N58  1  0.20103859  0.04266999  0.16870420  1
  N  N59  1  0.96226684  0.79537385  0.32468901  1
  N  N60  1  0.79895815  0.95733326  0.83129614  1
  N  N61  1  0.03773338  0.20462775  0.67531114  1
  O  O62  1  0.92406145  0.11743099  0.05651953  1
  O  O63  1  0.88039786  0.07007254  0.44238948  1
  O  O64  1  0.07593925  0.88256942  0.94347868  1
  O  O65  1  0.11959918  0.92993157  0.55760936  1
  O  O66  1  0.68722412  0.15944395  0.23974757  1
  O  O67  1  0.83937323  0.31239684  0.26113893  1
  O  O68  1  0.31277542  0.84055352  0.76025337  1
  O  O69  1  0.16062320  0.68760695  0.73885918  1
  O  O70  1  0.65297499  0.07841034  0.05927804  1
  O  O71  1  0.92628245  0.34621881  0.43791414  1
  O  O72  1  0.34702794  0.92158120  0.94072458  1
  O  O73  1  0.07371108  0.65378545  0.56208519  1
