# generated using pymatgen
data_MnFeCoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.92827381
_cell_length_b   10.92570542
_cell_length_c   10.89524405
_cell_angle_alpha   89.20579414
_cell_angle_beta   88.96828876
_cell_angle_gamma   63.52114474
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeCoH8C14(NO)6
_chemical_formula_sum   'Mn2 Fe2 Co2 H16 C28 N12 O12'
_cell_volume   1164.20493950
_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  0.89546364  0.10664530  0.25271333  1
  Mn  Mn1  1  0.10453352  0.89335764  0.74728446  1
  Fe  Fe2  1  0.85809976  0.99048104  -0.00407264  1
  Co  Co3  1  0.01786212  0.14035127  0.50597359  1
  Fe  Fe4  1  0.14190213  0.00951217  1.00407348  1
  Co  Co5  1  0.98213353  0.85965346  0.49402678  1
  H  H6  1  0.53858916  0.16982500  0.41091370  1
  H  H7  1  0.83015931  0.46284835  0.09333868  1
  H  H8  1  0.46141423  0.83016506  0.58909010  1
  H  H9  1  0.16984445  0.53715328  0.90665800  1
  H  H10  1  0.33559888  0.15907990  0.51201757  1
  H  H11  1  0.84133231  0.66596121  0.99291613  1
  H  H12  1  0.66439996  0.84091693  0.48798424  1
  H  H13  1  0.15867692  0.33403794  0.00708113  1
  H  H14  1  0.42382198  0.07520539  0.05825091  1
  H  H15  1  0.92675024  0.57676207  0.44564298  1
  H  H16  1  0.57618112  0.92478855  0.94175117  1
  H  H17  1  0.07323999  0.42324489  0.55435686  1
  H  H18  1  0.88442502  0.21322201  0.02671792  1
  H  H19  1  0.79180038  0.12543003  0.48025397  1
  H  H20  1  0.11557496  0.78677568  0.97327758  1
  H  H21  1  0.20819728  0.87457446  0.51974345  1
  C  C22  1  0.62126394  0.11964270  0.17196113  1
  C  C23  1  0.88113793  0.37982868  0.33142632  1
  C  C24  1  0.37873811  0.88035083  0.82804173  1
  C  C25  1  0.11885787  0.62017499  0.66857179  1
  C  C26  1  0.49514964  0.12100965  0.22891459  1
  C  C27  1  0.88099460  0.50560810  0.27490803  1
  C  C28  1  0.50485279  0.87898366  0.77108818  1
  C  C29  1  0.11900292  0.49439513  0.72509033  1
  C  C30  1  0.46835038  0.14712610  0.35650979  1
  C  C31  1  0.85416689  0.53236121  0.14763314  1
  C  C32  1  0.53165166  0.85286685  0.64349322  1
  C  C33  1  0.14583554  0.46764083  0.85236452  1
  C  C34  1  0.35608577  0.14151984  0.41400796  1
  C  C35  1  0.86008048  0.64434867  0.09052210  1
  C  C36  1  0.64391419  0.85847665  0.58599381  1
  C  C37  1  0.13992549  0.35565197  0.90947567  1
  C  C38  1  0.27036400  0.10966514  0.34112446  1
  C  C39  1  0.89367323  0.72863580  0.16361517  1
  C  C40  1  0.72963423  0.89033528  0.65887635  1
  C  C41  1  0.10633128  0.27136541  0.83638352  1
  C  C42  1  0.29673663  0.08411065  0.21495460  1
  C  C43  1  0.91981208  0.70312591  0.28955721  1
  C  C44  1  0.70326254  0.91588859  0.78504616  1
  C  C45  1  0.08018761  0.29687625  0.71044190  1
  C  C46  1  0.40703920  0.09243735  0.15649760  1
  C  C47  1  0.91028296  0.59309330  0.34755689  1
  C  C48  1  0.59296263  0.90755741  0.84350470  1
  C  C49  1  0.08971182  0.40691135  0.65244233  1
  N  N50  1  0.16077537  0.08330060  0.36938951  1
  N  N51  1  0.91779247  0.83869514  0.13461866  1
  N  N52  1  0.83921816  0.91670640  0.63060966  1
  N  N53  1  0.08221939  0.16130170  0.86538163  1
  N  N54  1  0.12738090  0.03646761  0.26953834  1
  N  N55  1  0.96413468  0.87397802  0.23389205  1
  N  N56  1  0.87261328  0.96353897  0.73046102  1
  N  N57  1  0.03587100  0.12602176  0.76611056  1
  N  N58  1  0.20385843  0.04079808  0.17438799  1
  N  N59  1  0.96003599  0.79866823  0.33014188  1
  N  N60  1  0.79613647  0.95920770  0.82561146  1
  N  N61  1  0.03996464  0.20133265  0.66985915  1
  O  O62  1  0.92980327  0.11997962  0.05800822  1
  O  O63  1  0.88279601  0.07610616  0.44399223  1
  O  O64  1  0.07019629  0.88001831  0.94198876  1
  O  O65  1  0.11720194  0.92389720  0.55600578  1
  O  O66  1  0.68823791  0.16043512  0.24018118  1
  O  O67  1  0.84030735  0.31351007  0.26202297  1
  O  O68  1  0.31176208  0.83956165  0.75982069  1
  O  O69  1  0.15969063  0.68649309  0.73797346  1
  O  O70  1  0.65417566  0.07532289  0.06226606  1
  O  O71  1  0.92372263  0.34740404  0.44101166  1
  O  O72  1  0.34582864  0.92466755  0.93773752  1
  O  O73  1  0.07626999  0.65260037  0.55898738  1
