# generated using pymatgen
data_MnNi2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88566681
_cell_length_b   10.87808382
_cell_length_c   10.87967983
_cell_angle_alpha   89.16954899
_cell_angle_beta   88.96375306
_cell_angle_gamma   63.70345446
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNi2H8C14(NO)6
_chemical_formula_sum   'Mn2 Ni4 H16 C28 N12 O12'
_cell_volume   1154.77620489
_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
  Ni  Ni0  1  0.90034212  0.10278359  0.25219761  1
  Ni  Ni1  1  0.09965624  0.89721966  0.74780096  1
  Mn  Mn2  1  0.85307248  0.99999830  -0.00497221  1
  Ni  Ni3  1  0.01573024  0.13995133  0.50867997  1
  Mn  Mn4  1  0.14693064  -0.00000206  1.00497322  1
  Ni  Ni5  1  0.98426535  0.86005448  0.49132053  1
  H  H6  1  0.54017504  0.16861972  0.41680894  1
  H  H7  1  0.83075807  0.46165822  0.09127987  1
  H  H8  1  0.45982929  0.83137005  0.58319405  1
  H  H9  1  0.16924622  0.53834217  0.90871612  1
  H  H10  1  0.33625257  0.15848703  0.51810760  1
  H  H11  1  0.84330727  0.66585283  0.99394515  1
  H  H12  1  0.66374586  0.84151098  0.48189342  1
  H  H13  1  0.15670104  0.33414767  0.00605269  1
  H  H14  1  0.42304177  0.07518561  0.06429351  1
  H  H15  1  0.92545906  0.57275699  0.44626293  1
  H  H16  1  0.57695900  0.92480908  0.93570931  1
  H  H17  1  0.07453216  0.42724754  0.55373676  1
  H  H18  1  0.88485319  0.22271397  0.05658940  1
  H  H19  1  0.79733661  0.12283274  0.45979047  1
  H  H20  1  0.11514622  0.77728631  0.94340644  1
  H  H21  1  0.20266065  0.87717217  0.54020635  1
  C  C22  1  0.62256927  0.11978037  0.17600201  1
  C  C23  1  0.88196468  0.37333833  0.32897293  1
  C  C24  1  0.37743396  0.88021098  0.82400160  1
  C  C25  1  0.11803084  0.62666703  0.67102520  1
  C  C26  1  0.49678124  0.11964620  0.23455241  1
  C  C27  1  0.88331261  0.50052908  0.27407217  1
  C  C28  1  0.50322112  0.88034593  0.76544921  1
  C  C29  1  0.11668354  0.49947589  0.72592555  1
  C  C30  1  0.47002710  0.14522968  0.36243749  1
  C  C31  1  0.85659243  0.52933971  0.14695315  1
  C  C32  1  0.52997494  0.85476248  0.63756436  1
  C  C33  1  0.14340921  0.47066305  0.85304377  1
  C  C34  1  0.35680960  0.14027326  0.42000048  1
  C  C35  1  0.86283735  0.64252250  0.09133486  1
  C  C36  1  0.64319070  0.85972300  0.58000102  1
  C  C37  1  0.13716791  0.35747864  0.90866278  1
  C  C38  1  0.26901885  0.10987975  0.34753358  1
  C  C39  1  0.89547965  0.72762841  0.16528387  1
  C  C40  1  0.73097935  0.89011958  0.65246776  1
  C  C41  1  0.10452666  0.27237121  0.83471495  1
  C  C42  1  0.29388860  0.08758396  0.22059476  1
  C  C43  1  0.91768973  0.70283985  0.29201001  1
  C  C44  1  0.70610976  0.91241497  0.77940666  1
  C  C45  1  0.08230941  0.29716260  0.70798918  1
  C  C46  1  0.40654398  0.09285803  0.16243083  1
  C  C47  1  0.91068469  0.58955079  0.34788487  1
  C  C48  1  0.59345609  0.90713659  0.83757127  1
  C  C49  1  0.08930994  0.41045404  0.65211473  1
  N  N50  1  0.15893948  0.08341854  0.37523913  1
  N  N51  1  0.91824568  0.83860635  0.13625109  1
  N  N52  1  0.84105592  0.91658672  0.62476132  1
  N  N53  1  0.08176689  0.16138987  0.86374852  1
  N  N54  1  0.11904090  0.04696383  0.27236967  1
  N  N55  1  0.95379853  0.88090973  0.23777526  1
  N  N56  1  0.88095408  0.95304136  0.72762930  1
  N  N57  1  0.04620561  0.11908938  0.76222528  1
  N  N58  1  0.19784505  0.05025914  0.17840224  1
  N  N59  1  0.95106501  0.80365352  0.33355439  1
  N  N60  1  0.80214970  0.94974574  0.82159736  1
  N  N61  1  0.04893522  0.19634887  0.66644573  1
  O  O62  1  0.93098080  0.12357013  0.06902698  1
  O  O63  1  0.89204720  0.07199752  0.43174840  1
  O  O64  1  0.06901826  0.87643023  0.93097091  1
  O  O65  1  0.10795114  0.92800616  0.56825084  1
  O  O66  1  0.69614744  0.15172036  0.24534442  1
  O  O67  1  0.84204179  0.30692213  0.25759054  1
  O  O68  1  0.30385214  0.84827614  0.75465849  1
  O  O69  1  0.15795645  0.69308089  0.74240702  1
  O  O70  1  0.64806992  0.08487526  0.06305411  1
  O  O71  1  0.92141065  0.34175059  0.43947312  1
  O  O72  1  0.35193525  0.91511231  0.93695029  1
  O  O73  1  0.07858308  0.65825370  0.56052545  1
