# generated using pymatgen
data_MnFeNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.89859347
_cell_length_b   10.89114856
_cell_length_c   10.88661916
_cell_angle_alpha   89.18500273
_cell_angle_beta   88.98122005
_cell_angle_gamma   63.66554769
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeNiH8C14(NO)6
_chemical_formula_sum   'Mn2 Fe2 Ni2 H16 C28 N12 O12'
_cell_volume   1157.90307208
_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  0.89967965  0.10317320  0.25370782  1
  Fe  Fe1  1  0.10031856  0.89682925  0.74629112  1
  Mn  Mn2  1  0.85247145  1.00051717  -0.00348026  1
  Ni  Ni3  1  0.01559533  0.14112542  0.50692151  1
  Mn  Mn4  1  0.14753106  -0.00051925  1.00348016  1
  Ni  Ni5  1  0.98440042  0.85887965  0.49307875  1
  H  H6  1  0.53924377  0.16890017  0.41720086  1
  H  H7  1  0.83033293  0.46225229  0.09153705  1
  H  H8  1  0.46075981  0.83108952  0.58280323  1
  H  H9  1  0.16967116  0.53774953  0.90845831  1
  H  H10  1  0.33593304  0.15848029  0.51839690  1
  H  H11  1  0.84326559  0.66623375  0.99330958  1
  H  H12  1  0.66406453  0.84151761  0.48160433  1
  H  H13  1  0.15674250  0.33376686  0.00668741  1
  H  H14  1  0.42314543  0.07531432  0.06398819  1
  H  H15  1  0.92536742  0.57315143  0.44641688  1
  H  H16  1  0.57685612  0.92468058  0.93601440  1
  H  H17  1  0.07462379  0.42685386  0.55358256  1
  H  H18  1  0.88587878  0.22432769  0.04850796  1
  H  H19  1  0.79308549  0.12293531  0.46970677  1
  H  H20  1  0.11412298  0.77567249  0.95148972  1
  H  H21  1  0.20691055  0.87707072  0.53029090  1
  C  C22  1  0.62021602  0.12117301  0.17567004  1
  C  C23  1  0.88072526  0.37627869  0.32917998  1
  C  C24  1  0.37978730  0.87881759  0.82433321  1
  C  C25  1  0.11927006  0.62372580  0.67081757  1
  C  C26  1  0.49546539  0.12049181  0.23473697  1
  C  C27  1  0.88245152  0.50240130  0.27392364  1
  C  C28  1  0.50453705  0.87950080  0.76526612  1
  C  C29  1  0.11754520  0.49760275  0.72607372  1
  C  C30  1  0.46909188  0.14563945  0.36275052  1
  C  C31  1  0.85610302  0.53031612  0.14662281  1
  C  C32  1  0.53091020  0.85435319  0.63725263  1
  C  C33  1  0.14389884  0.46968661  0.85337356  1
  C  C34  1  0.35610652  0.14076479  0.42024798  1
  C  C35  1  0.86225267  0.64313527  0.09075786  1
  C  C36  1  0.64389319  0.85923136  0.57975337  1
  C  C37  1  0.13775278  0.35686606  0.90923970  1
  C  C38  1  0.26844141  0.11098945  0.34720270  1
  C  C39  1  0.89442155  0.72782822  0.16530603  1
  C  C40  1  0.73155690  0.88900974  0.65279813  1
  C  C41  1  0.10558448  0.27217162  0.83469296  1
  C  C42  1  0.29419707  0.08815237  0.22038505  1
  C  C43  1  0.91717362  0.70299308  0.29204978  1
  C  C44  1  0.70580204  0.91184619  0.77961580  1
  C  C45  1  0.08282560  0.29700913  0.70795011  1
  C  C46  1  0.40639876  0.09343283  0.16213876  1
  C  C47  1  0.91019229  0.59039768  0.34814195  1
  C  C48  1  0.59360251  0.90656225  0.83786403  1
  C  C49  1  0.08980227  0.40960652  0.65185730  1
  N  N50  1  0.15733431  0.08599603  0.37344717  1
  N  N51  1  0.91671452  0.83905679  0.13673421  1
  N  N52  1  0.84266015  0.91400905  0.62655160  1
  N  N53  1  0.08329743  0.16093970  0.86326547  1
  N  N54  1  0.12544963  0.03937959  0.27172029  1
  N  N55  1  0.95965054  0.87585925  0.23692502  1
  N  N56  1  0.87454396  0.96062736  0.72827771  1
  N  N57  1  0.04035352  0.12414070  0.76307725  1
  N  N58  1  0.19956037  0.04975650  0.17712348  1
  N  N59  1  0.95192780  0.80254567  0.33388647  1
  N  N60  1  0.80043537  0.95024805  0.82287550  1
  N  N61  1  0.04807291  0.19745486  0.66611476  1
  O  O62  1  0.93133416  0.12619603  0.06534757  1
  O  O63  1  0.88642357  0.07321899  0.43837802  1
  O  O64  1  0.06866580  0.87380426  0.93465025  1
  O  O65  1  0.11357347  0.92678531  0.56162247  1
  O  O66  1  0.69276561  0.15434250  0.24503017  1
  O  O67  1  0.84241535  0.30978832  0.25664958  1
  O  O68  1  0.30723579  0.84565188  0.75497173  1
  O  O69  1  0.15758111  0.69021545  0.74334746  1
  O  O70  1  0.64655199  0.08573141  0.06300832  1
  O  O71  1  0.91848262  0.34483378  0.43995207  1
  O  O72  1  0.35345279  0.91425522  0.93699584  1
  O  O73  1  0.08151199  0.65517060  0.56004557  1
