# generated using pymatgen
data_MnCrFeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.98230141
_cell_length_b   10.96680369
_cell_length_c   10.95404055
_cell_angle_alpha   88.87314877
_cell_angle_beta   88.76020972
_cell_angle_gamma   63.24371524
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrFeH8C14(NO)6
_chemical_formula_sum   'Mn2 Cr2 Fe2 H16 C28 N12 O12'
_cell_volume   1177.70481980
_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  0.89766904  0.09820902  0.23996153  1
  Mn  Mn1  1  0.10232974  0.90179353  0.76003727  1
  Fe  Fe2  1  0.85719279  0.98720695  -0.00540990  1
  Cr  Cr3  1  0.00631059  0.14228608  0.51039645  1
  Fe  Fe4  1  0.14280823  0.01279237  1.00540973  1
  Cr  Cr5  1  0.99368646  0.85771767  0.48960323  1
  H  H6  1  0.53248432  0.17526242  0.40678752  1
  H  H7  1  0.82863082  0.45060826  0.09907417  1
  H  H8  1  0.46751932  0.82472936  0.59321535  1
  H  H9  1  0.17137276  0.54939157  0.90092337  1
  H  H10  1  0.33258062  0.16075119  0.50823396  1
  H  H11  1  0.83885837  0.65093097  0.99378856  1
  H  H12  1  0.66741967  0.83924607  0.49176726  1
  H  H13  1  0.16115093  0.34906637  0.00620917  1
  H  H14  1  0.42349973  0.07395377  0.05757963  1
  H  H15  1  0.91973687  0.57416636  0.44645259  1
  H  H16  1  0.57650336  0.92604010  0.94242247  1
  H  H17  1  0.08025461  0.42583972  0.55354743  1
  H  H18  1  0.88032790  0.21250859  0.01578011  1
  H  H19  1  0.79284132  0.10011218  0.46112902  1
  H  H20  1  0.11967364  0.78749067  0.98421653  1
  H  H21  1  0.20715467  0.89989037  0.53886911  1
  C  C22  1  0.62077261  0.11624125  0.17093765  1
  C  C23  1  0.87950239  0.37110062  0.33528982  1
  C  C24  1  0.37922849  0.88375512  0.82906510  1
  C  C25  1  0.12049406  0.62890237  0.66470980  1
  C  C26  1  0.49397332  0.11973072  0.22707190  1
  C  C27  1  0.87822345  0.49644693  0.27830368  1
  C  C28  1  0.50602817  0.88026436  0.77293027  1
  C  C29  1  0.12177455  0.50355577  0.72169541  1
  C  C30  1  0.46530138  0.14859549  0.35341448  1
  C  C31  1  0.85202481  0.52106698  0.15110590  1
  C  C32  1  0.53470050  0.85139893  0.64658770  1
  C  C33  1  0.14797746  0.47893314  0.84889250  1
  C  C34  1  0.35448250  0.14109591  0.41116021  1
  C  C35  1  0.85720162  0.63172810  0.09116063  1
  C  C36  1  0.64551779  0.85890119  0.58884154  1
  C  C37  1  0.14280379  0.36827057  0.90883694  1
  C  C38  1  0.27230694  0.10479099  0.33961961  1
  C  C39  1  0.88832179  0.71886221  0.16116503  1
  C  C40  1  0.72769189  0.89520897  0.66038104  1
  C  C41  1  0.11168216  0.28113739  0.83883386  1
  C  C42  1  0.29836111  0.07966991  0.21414519  1
  C  C43  1  0.91046359  0.69719643  0.28741224  1
  C  C44  1  0.70163921  0.92032830  0.78585558  1
  C  C45  1  0.08953495  0.30280563  0.71258701  1
  C  C46  1  0.40698042  0.09035639  0.15536089  1
  C  C47  1  0.90403535  0.58751539  0.34855426  1
  C  C48  1  0.59302154  0.90963910  0.84464095  1
  C  C49  1  0.09596038  0.41248822  0.65144579  1
  N  N50  1  0.16552209  0.07570430  0.36914819  1
  N  N51  1  0.91212080  0.82894947  0.12955378  1
  N  N52  1  0.83447410  0.92429941  0.63085095  1
  N  N53  1  0.08788524  0.17104853  0.87044440  1
  N  N54  1  0.12866455  0.03336577  0.26965892  1
  N  N55  1  0.95537338  0.86639390  0.22809274  1
  N  N56  1  0.87133216  0.96663761  0.73034011  1
  N  N57  1  0.04462794  0.13360666  0.77190695  1
  N  N58  1  0.20564375  0.03663785  0.17432331  1
  N  N59  1  0.94510583  0.79583621  0.32562929  1
  N  N60  1  0.79435541  0.96336249  0.82567694  1
  N  N61  1  0.05489156  0.20416637  0.67437097  1
  O  O62  1  0.92760942  0.12096343  0.05063714  1
  O  O63  1  0.88747366  0.05965615  0.43269615  1
  O  O64  1  0.07239140  0.87903689  0.94936100  1
  O  O65  1  0.11252356  0.94034772  0.56730284  1
  O  O66  1  0.68955976  0.15318798  0.23956971  1
  O  O67  1  0.83900506  0.30395484  0.26900489  1
  O  O68  1  0.31044002  0.84681110  0.76043152  1
  O  O69  1  0.16099241  0.69604785  0.73099313  1
  O  O70  1  0.65368312  0.07313036  0.06161900  1
  O  O71  1  0.92259396  0.33748984  0.44533177  1
  O  O72  1  0.34631904  0.92686422  0.93838351  1
  O  O73  1  0.07740029  0.66251391  0.55466773  1
