# generated using pymatgen
data_MnFeCoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.90232743
_cell_length_b   10.89670035
_cell_length_c   10.89074522
_cell_angle_alpha   89.20705237
_cell_angle_beta   88.99165461
_cell_angle_gamma   63.65618388
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeCoH8C14(NO)6
_chemical_formula_sum   'Mn2 Fe2 Co2 H16 C28 N12 O12'
_cell_volume   1159.24211885
_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
  Fe  Fe0  1  0.89958020  0.10255563  0.25179223  1
  Fe  Fe1  1  0.10041769  0.89744688  0.74820600  1
  Mn  Mn2  1  0.85209748  1.00088229  -0.00385552  1
  Co  Co3  1  0.01273084  0.14208954  0.50685073  1
  Mn  Mn4  1  0.14790602  -0.00088401  1.00385537  1
  Co  Co5  1  0.98726525  0.85791583  0.49314919  1
  H  H6  1  0.53939797  0.16963688  0.41653651  1
  H  H7  1  0.83003891  0.46314433  0.08998974  1
  H  H8  1  0.46060485  0.83035298  0.58346785  1
  H  H9  1  0.16996516  0.53685737  0.91000589  1
  H  H10  1  0.33659421  0.15836252  0.51803271  1
  H  H11  1  0.84307355  0.66706582  0.99233333  1
  H  H12  1  0.66340273  0.84163535  0.48196904  1
  H  H13  1  0.15693478  0.33293420  0.00766392  1
  H  H14  1  0.42327591  0.07540125  0.06362620  1
  H  H15  1  0.92564847  0.57334422  0.44502805  1
  H  H16  1  0.57672597  0.92459411  0.93637678  1
  H  H17  1  0.07434271  0.42666087  0.55497172  1
  H  H18  1  0.88546190  0.22559287  0.04668592  1
  H  H19  1  0.78963668  0.12329606  0.46885726  1
  H  H20  1  0.11453955  0.77440851  0.95331192  1
  H  H21  1  0.21036036  0.87670904  0.53114070  1
  C  C22  1  0.62026481  0.12160610  0.17528006  1
  C  C23  1  0.88013568  0.37785415  0.32926330  1
  C  C24  1  0.37973807  0.87838344  0.82472202  1
  C  C25  1  0.11985999  0.62215027  0.67073447  1
  C  C26  1  0.49555232  0.12087560  0.23424968  1
  C  C27  1  0.88182376  0.50325267  0.27278994  1
  C  C28  1  0.50445040  0.87911649  0.76575394  1
  C  C29  1  0.11817312  0.49675099  0.72720762  1
  C  C30  1  0.46942179  0.14606374  0.36221332  1
  C  C31  1  0.85570688  0.53110324  0.14533797  1
  C  C32  1  0.53057986  0.85392867  0.63778996  1
  C  C33  1  0.14429508  0.46889906  0.85465878  1
  C  C34  1  0.35677099  0.14079680  0.41986104  1
  C  C35  1  0.86193799  0.64405008  0.08978405  1
  C  C36  1  0.64322844  0.85919960  0.58014134  1
  C  C37  1  0.13806757  0.35595080  0.91021285  1
  C  C38  1  0.26910656  0.11130887  0.34675576  1
  C  C39  1  0.89409814  0.72877767  0.16442216  1
  C  C40  1  0.73089171  0.88869034  0.65324483  1
  C  C41  1  0.10590800  0.27122201  0.83557684  1
  C  C42  1  0.29417832  0.08833546  0.21992989  1
  C  C43  1  0.91761931  0.70294645  0.29082512  1
  C  C44  1  0.70582085  0.91166264  0.78007160  1
  C  C45  1  0.08238001  0.29705555  0.70917450  1
  C  C46  1  0.40650541  0.09352473  0.16173008  1
  C  C47  1  0.91007510  0.59067780  0.34680624  1
  C  C48  1  0.59349612  0.90646978  0.83827169  1
  C  C49  1  0.08991934  0.40932634  0.65319298  1
  N  N50  1  0.15806365  0.08621674  0.37352923  1
  N  N51  1  0.91588503  0.84038156  0.13675353  1
  N  N52  1  0.84192969  0.91379047  0.62646907  1
  N  N53  1  0.08412463  0.15961602  0.86324587  1
  N  N54  1  0.12395810  0.04154483  0.27198191  1
  N  N55  1  0.95935031  0.87662243  0.23718869  1
  N  N56  1  0.87603368  0.95846500  0.72801539  1
  N  N57  1  0.04065391  0.12337746  0.76281259  1
  N  N58  1  0.19860808  0.05054789  0.17726999  1
  N  N59  1  0.95341147  0.80119922  0.33336504  1
  N  N60  1  0.80138857  0.94945560  0.82272895  1
  N  N61  1  0.04658823  0.19880196  0.66663595  1
  O  O62  1  0.93083613  0.12742125  0.06300697  1
  O  O63  1  0.88338994  0.07420710  0.43840862  1
  O  O64  1  0.06916453  0.87257999  0.93699048  1
  O  O65  1  0.11660803  0.92579676  0.56159148  1
  O  O66  1  0.69288421  0.15482431  0.24438329  1
  O  O67  1  0.84375084  0.30893101  0.25799608  1
  O  O68  1  0.30711861  0.84516955  0.75561969  1
  O  O69  1  0.15624564  0.69107174  0.74200118  1
  O  O70  1  0.64666922  0.08587805  0.06267975  1
  O  O71  1  0.91653173  0.34907031  0.44082029  1
  O  O72  1  0.35333583  0.91410832  0.93732564  1
  O  O73  1  0.08346362  0.65093337  0.55917721  1
