# generated using pymatgen
data_MnFeCoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.91200159
_cell_length_b   10.91185212
_cell_length_c   10.94095998
_cell_angle_alpha   89.12587685
_cell_angle_beta   88.91300829
_cell_angle_gamma   63.56589857
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeCoH8C14(NO)6
_chemical_formula_sum   'Mn2 Fe2 Co2 H16 C28 N12 O12'
_cell_volume   1166.29244434
_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
  Co  Co0  1  0.90875394  0.09106279  0.25033262  1
  Co  Co1  1  0.09124489  0.90894084  0.74966692  1
  Fe  Fe2  1  0.85446406  0.99851245  -0.00768181  1
  Mn  Mn3  1  -0.00185625  0.14991451  0.50632734  1
  Fe  Fe4  1  0.14553732  0.00148631  1.00768169  1
  Mn  Mn5  1  1.00185377  0.85008951  0.49367265  1
  H  H6  1  0.53886015  0.17168334  0.40937926  1
  H  H7  1  0.82608820  0.46031039  0.08653027  1
  H  H8  1  0.46114349  0.82830736  0.59062311  1
  H  H9  1  0.17391589  0.53968972  0.91346743  1
  H  H10  1  0.33649663  0.15759801  0.50831227  1
  H  H11  1  0.83654722  0.66316607  0.98500644  1
  H  H12  1  0.66350276  0.84239891  0.49168849  1
  H  H13  1  0.16346246  0.33683111  0.01499114  1
  H  H14  1  0.42686229  0.07856445  0.05657250  1
  H  H15  1  0.92809833  0.57455855  0.43468681  1
  H  H16  1  0.57314026  0.92143061  0.94342927  1
  H  H17  1  0.07189234  0.42544737  0.56531335  1
  H  H18  1  0.88970010  0.21298051  0.04843480  1
  H  H19  1  0.78130137  0.10703269  0.44476839  1
  H  H20  1  0.11030007  0.78701954  0.95156025  1
  H  H21  1  0.21869751  0.89297037  0.55522965  1
  C  C22  1  0.62709286  0.11831664  0.17282267  1
  C  C23  1  0.88285933  0.37494325  0.32391015  1
  C  C24  1  0.37290898  0.88167726  0.82717869  1
  C  C25  1  0.11713579  0.62506063  0.67609005  1
  C  C26  1  0.49945599  0.11996702  0.22799228  1
  C  C27  1  0.88066183  0.50148412  0.26609001  1
  C  C28  1  0.50054597  0.88002669  0.77200962  1
  C  C29  1  0.11933513  0.49851855  0.73390862  1
  C  C30  1  0.47079412  0.14625645  0.35476719  1
  C  C31  1  0.85176765  0.52929467  0.13974136  1
  C  C32  1  0.52920803  0.85373693  0.64523480  1
  C  C33  1  0.14823506  0.47070595  0.86025692  1
  C  C34  1  0.35839247  0.13932380  0.41097037  1
  C  C35  1  0.85646760  0.64209818  0.08213516  1
  C  C36  1  0.64160737  0.86067276  0.58903050  1
  C  C37  1  0.14353864  0.35790087  0.91786320  1
  C  C38  1  0.27379604  0.10628655  0.33770607  1
  C  C39  1  0.89064548  0.72752727  0.15311785  1
  C  C40  1  0.72620200  0.89371336  0.66229408  1
  C  C41  1  0.10935884  0.27247187  0.84688137  1
  C  C42  1  0.29960522  0.08387713  0.21173710  1
  C  C43  1  0.91947362  0.70009041  0.27798834  1
  C  C44  1  0.70039403  0.91612156  0.78826368  1
  C  C45  1  0.08052440  0.29991242  0.72201184  1
  C  C46  1  0.41066725  0.09292933  0.15470740  1
  C  C47  1  0.91063192  0.59002287  0.33707952  1
  C  C48  1  0.58933405  0.90706588  0.84529451  1
  C  C49  1  0.08936322  0.40998110  0.66292067  1
  N  N50  1  0.16230147  0.08415481  0.36598204  1
  N  N51  1  0.91168919  0.84045274  0.12513913  1
  N  N52  1  0.83769352  0.91585050  0.63401745  1
  N  N53  1  0.08832077  0.15954378  0.87485928  1
  N  N54  1  0.12096170  0.04866361  0.26500246  1
  N  N55  1  0.95759290  0.87551804  0.22541102  1
  N  N56  1  0.87903152  0.95134452  0.73499629  1
  N  N57  1  0.04241296  0.12448014  0.77458861  1
  N  N58  1  0.20077245  0.04924658  0.16949502  1
  N  N59  1  0.96113542  0.79395068  0.31805528  1
  N  N60  1  0.79922364  0.95075626  0.83050502  1
  N  N61  1  0.03886206  0.20605221  0.68194582  1
  O  O62  1  0.93461285  0.11479631  0.06378204  1
  O  O63  1  0.88043783  0.06340715  0.43432807  1
  O  O64  1  0.06538767  0.88520422  0.93621620  1
  O  O65  1  0.11956167  0.93659552  0.56567070  1
  O  O66  1  0.70055652  0.14742651  0.24416662  1
  O  O67  1  0.85265006  0.29975422  0.25554648  1
  O  O68  1  0.29944476  0.85256948  0.75583413  1
  O  O69  1  0.14734468  0.70024953  0.74445408  1
  O  O70  1  0.65375268  0.08548838  0.06019761  1
  O  O71  1  0.91751345  0.35081650  0.43619499  1
  O  O72  1  0.34624963  0.91450434  0.93980413  1
  O  O73  1  0.08248135  0.64918781  0.56380513  1
