# generated using pymatgen
data_CoNi2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86681727
_cell_length_b   10.86318277
_cell_length_c   10.85297481
_cell_angle_alpha   89.23092232
_cell_angle_beta   89.02179353
_cell_angle_gamma   63.76892505
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi2H8C14(NO)6
_chemical_formula_sum   'Co2 Ni4 H16 C28 N12 O12'
_cell_volume   1149.04532830
_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  0.89827291  0.10151483  0.24934454  1
  Ni  Ni1  1  0.10172651  0.89848748  0.75065348  1
  Ni  Ni2  1  0.85903279  0.98374376  -0.00608755  1
  Co  Co3  1  0.01507799  0.13998262  0.50650937  1
  Ni  Ni4  1  0.14096853  0.01625520  1.00608662  1
  Co  Co5  1  0.98491852  0.86002212  0.49349090  1
  H  H6  1  0.53753964  0.16748603  0.41270184  1
  H  H7  1  0.83135982  0.46345570  0.08683208  1
  H  H8  1  0.46246298  0.83250360  0.58730258  1
  H  H9  1  0.16864529  0.53654539  0.91316481  1
  H  H10  1  0.33288847  0.15534836  0.51070354  1
  H  H11  1  0.84239020  0.66848659  0.98873345  1
  H  H12  1  0.66710835  0.84465022  0.48929800  1
  H  H13  1  0.15761718  0.33151321  0.01126500  1
  H  H14  1  0.42552925  0.07426754  0.05613858  1
  H  H15  1  0.92933188  0.57485142  0.44194613  1
  H  H16  1  0.57447059  0.92572911  0.94386238  1
  H  H17  1  0.07066018  0.42515401  0.55805397  1
  H  H18  1  0.87737091  0.20521123  0.04342579  1
  H  H19  1  0.79164380  0.12303027  0.45517031  1
  H  H20  1  0.12262885  0.79479023  0.95656987  1
  H  H21  1  0.20835376  0.87697415  0.54482625  1
  C  C22  1  0.62641725  0.11688878  0.17434737  1
  C  C23  1  0.88357972  0.37541182  0.32612162  1
  C  C24  1  0.37358656  0.88310097  0.82565556  1
  C  C25  1  0.11641671  0.62459179  0.67387638  1
  C  C26  1  0.49795767  0.11678357  0.22902179  1
  C  C27  1  0.88377052  0.50298543  0.27004604  1
  C  C28  1  0.50204484  0.88320925  0.77098046  1
  C  C29  1  0.11622740  0.49701780  0.72995299  1
  C  C30  1  0.46893490  0.14284868  0.35681529  1
  C  C31  1  0.85657279  0.53200165  0.14243240  1
  C  C32  1  0.53106668  0.85714338  0.64318786  1
  C  C33  1  0.14342985  0.46800009  0.85756597  1
  C  C34  1  0.35508005  0.13742884  0.41256806  1
  C  C35  1  0.86135410  0.64602585  0.08657058  1
  C  C36  1  0.64491902  0.86256772  0.58743369  1
  C  C37  1  0.13865160  0.35397449  0.91342806  1
  C  C38  1  0.26856213  0.10726441  0.33804497  1
  C  C39  1  0.89270957  0.73255565  0.16046232  1
  C  C40  1  0.73143557  0.89273469  0.66195631  1
  C  C41  1  0.10729518  0.26744496  0.83953673  1
  C  C42  1  0.29432048  0.08451394  0.21097927  1
  C  C43  1  0.91738061  0.70555786  0.28688837  1
  C  C44  1  0.70567948  0.91548373  0.78902228  1
  C  C45  1  0.08261882  0.29444502  0.71311141  1
  C  C46  1  0.40859423  0.09007008  0.15482592  1
  C  C47  1  0.91187125  0.59176646  0.34356404  1
  C  C48  1  0.59140801  0.90992427  0.84517573  1
  C  C49  1  0.08812398  0.40823789  0.65643573  1
  N  N50  1  0.15537498  0.08609329  0.36512195  1
  N  N51  1  0.91332712  0.84588281  0.13371556  1
  N  N52  1  0.84461862  0.91391288  0.63487706  1
  N  N53  1  0.08668006  0.15411597  0.86628371  1
  N  N54  1  0.11429821  0.05078210  0.26211346  1
  N  N55  1  0.95099072  0.88553294  0.23630861  1
  N  N56  1  0.88569721  0.94922213  0.73788533  1
  N  N57  1  0.04901324  0.11446752  0.76369155  1
  N  N58  1  0.19308598  0.05320656  0.16718566  1
  N  N59  1  0.95062460  0.80519925  0.33069732  1
  N  N60  1  0.80691284  0.94679447  0.83281405  1
  N  N61  1  0.04937439  0.19480376  0.66930284  1
  O  O62  1  0.92873173  0.10930508  0.06764234  1
  O  O63  1  0.88808714  0.07232963  0.43194124  1
  O  O64  1  0.07126815  0.89069691  0.93235470  1
  O  O65  1  0.11191092  0.92767499  0.56805706  1
  O  O66  1  0.69496418  0.15212821  0.24763833  1
  O  O67  1  0.84904171  0.30500577  0.25441125  1
  O  O68  1  0.30503505  0.84786887  0.75236351  1
  O  O69  1  0.15095476  0.69499847  0.74558665  1
  O  O70  1  0.65671796  0.08128029  0.06220184  1
  O  O71  1  0.91817649  0.34793400  0.43865260  1
  O  O72  1  0.34328769  0.91870514  0.93780258  1
  O  O73  1  0.08181936  0.65206959  0.56134605  1
