# generated using pymatgen
data_MnFeNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.89673287
_cell_length_b   10.89301834
_cell_length_c   10.88643085
_cell_angle_alpha   89.18556183
_cell_angle_beta   88.98216635
_cell_angle_gamma   63.66480787
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeNiH8C14(NO)6
_chemical_formula_sum   'Mn2 Fe2 Ni2 H16 C28 N12 O12'
_cell_volume   1157.87708434
_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  0.89728640  0.10049136  0.24658881  1
  Fe  Fe1  1  0.10271145  0.89951147  0.75340903  1
  Ni  Ni2  1  0.85887996  0.98427657  -0.00666273  1
  Mn  Mn3  1  -0.00029196  0.14764388  0.50354196  1
  Ni  Ni4  1  0.14112113  0.01572308  1.00666320  1
  Mn  Mn5  1  1.00028886  0.85236171  0.49645755  1
  H  H6  1  0.53804148  0.16853718  0.40948573  1
  H  H7  1  0.82988118  0.46116252  0.08395330  1
  H  H8  1  0.46196218  0.83145196  0.59051638  1
  H  H9  1  0.17012329  0.53883748  0.91604400  1
  H  H10  1  0.33391138  0.15496529  0.50725449  1
  H  H11  1  0.83957235  0.66437794  0.98244662  1
  H  H12  1  0.66608769  0.84503269  0.49274705  1
  H  H13  1  0.16043624  0.33562088  0.01755093  1
  H  H14  1  0.42726492  0.07771260  0.05301104  1
  H  H15  1  0.92817835  0.57677694  0.43549464  1
  H  H16  1  0.57273457  0.92228158  0.94699090  1
  H  H17  1  0.07181364  0.42322927  0.56450613  1
  H  H18  1  0.87695071  0.20716933  0.03071622  1
  H  H19  1  0.77595189  0.11370046  0.45185915  1
  H  H20  1  0.12304871  0.79283184  0.96928178  1
  H  H21  1  0.22404633  0.88630386  0.54813721  1
  C  C22  1  0.62410563  0.11998007  0.17134008  1
  C  C23  1  0.87972050  0.38007151  0.32488083  1
  C  C24  1  0.37589651  0.88001303  0.82866297  1
  C  C25  1  0.12027505  0.61993267  0.67511741  1
  C  C26  1  0.49779118  0.11828668  0.22635130  1
  C  C27  1  0.88019085  0.50477110  0.26567886  1
  C  C28  1  0.50221092  0.88170586  0.77365103  1
  C  C29  1  0.11980673  0.49523247  0.73431985  1
  C  C30  1  0.46995113  0.14341085  0.35398369  1
  C  C31  1  0.85374692  0.53129807  0.13803313  1
  C  C32  1  0.53005098  0.85658092  0.64601839  1
  C  C33  1  0.14625553  0.46870311  0.86196454  1
  C  C34  1  0.35712023  0.13683744  0.40958020  1
  C  C35  1  0.85819053  0.64431497  0.08038218  1
  C  C36  1  0.64287959  0.86315885  0.59042174  1
  C  C37  1  0.14181561  0.35568430  0.91961602  1
  C  C38  1  0.27247850  0.10551917  0.33442162  1
  C  C39  1  0.88900069  0.73187178  0.15286696  1
  C  C40  1  0.72751926  0.89448056  0.66557972  1
  C  C41  1  0.11100609  0.26812658  0.84713124  1
  C  C42  1  0.29696405  0.08441907  0.20729680  1
  C  C43  1  0.91399771  0.70545781  0.27918290  1
  C  C44  1  0.70303511  0.91557936  0.79270488  1
  C  C45  1  0.08600184  0.29454468  0.72081700  1
  C  C46  1  0.40967135  0.09177032  0.15148628  1
  C  C47  1  0.90872064  0.59352346  0.33764972  1
  C  C48  1  0.59032973  0.90822413  0.84851554  1
  C  C49  1  0.09127456  0.40648122  0.66234996  1
  N  N50  1  0.16154248  0.08264811  0.36281247  1
  N  N51  1  0.91368569  0.84314466  0.12636863  1
  N  N52  1  0.83845201  0.91735677  0.63718697  1
  N  N53  1  0.08632250  0.15685243  0.87362908  1
  N  N54  1  0.12421960  0.04141873  0.26189324  1
  N  N55  1  0.96208147  0.87451707  0.22722066  1
  N  N56  1  0.87577526  0.95858632  0.73810565  1
  N  N57  1  0.03792252  0.12548281  0.77277810  1
  N  N58  1  0.19713127  0.05051184  0.16502079  1
  N  N59  1  0.95420144  0.79928121  0.32163953  1
  N  N60  1  0.80286680  0.94948978  0.83497918  1
  N  N61  1  0.04579651  0.20072268  0.67836018  1
  O  O62  1  0.92663716  0.11389317  0.06175379  1
  O  O63  1  0.87413200  0.06857315  0.43486875  1
  O  O64  1  0.07336358  0.88610810  0.93824409  1
  O  O65  1  0.12586691  0.93143054  0.56513098  1
  O  O66  1  0.69072933  0.15746969  0.24435523  1
  O  O67  1  0.84546816  0.30770407  0.25616760  1
  O  O68  1  0.30927124  0.84252613  0.75564818  1
  O  O69  1  0.15452855  0.69229893  0.74383062  1
  O  O70  1  0.65559916  0.08290822  0.06016559  1
  O  O71  1  0.91646036  0.35355935  0.43701628  1
  O  O72  1  0.34440421  0.91708400  0.93983839  1
  O  O73  1  0.08353413  0.64644508  0.56298221  1
