# generated using pymatgen
data_CoNi2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86859964
_cell_length_b   10.86139746
_cell_length_c   10.85294417
_cell_angle_alpha   89.22493574
_cell_angle_beta   89.02662403
_cell_angle_gamma   63.76895235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi2H8C14(NO)6
_chemical_formula_sum   'Co2 Ni4 H16 C28 N12 O12'
_cell_volume   1149.04239472
_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  0.89877735  0.10198471  0.25090207  1
  Ni  Ni1  1  0.10122205  0.89801787  0.74909564  1
  Co  Co2  1  0.86016656  0.98477018  -0.00661386  1
  Ni  Ni3  1  0.01619959  0.14106944  0.50630535  1
  Co  Co4  1  0.13983295  0.01522897  1.00661217  1
  Ni  Ni5  1  0.98379725  0.85893536  0.49369341  1
  H  H6  1  0.53695332  0.16744397  0.41424223  1
  H  H7  1  0.83132400  0.46294506  0.08839355  1
  H  H8  1  0.46304953  0.83254598  0.58576314  1
  H  H9  1  0.16868110  0.53705607  0.91160342  1
  H  H10  1  0.33199132  0.15566886  0.51207268  1
  H  H11  1  0.84270172  0.66753814  0.99005096  1
  H  H12  1  0.66800453  0.84432949  0.48792872  1
  H  H13  1  0.15730571  0.33246249  0.00994716  1
  H  H14  1  0.42506657  0.07415172  0.05748079  1
  H  H15  1  0.92926116  0.57456275  0.44329155  1
  H  H16  1  0.57492729  0.92584581  0.94251987  1
  H  H17  1  0.07073069  0.42544293  0.55670875  1
  H  H18  1  0.87702063  0.20845375  0.04524105  1
  H  H19  1  0.79496714  0.12275925  0.45702394  1
  H  H20  1  0.12297957  0.79154733  0.95475454  1
  H  H21  1  0.20503018  0.87724507  0.54297325  1
  C  C22  1  0.62498156  0.11710783  0.17443420  1
  C  C23  1  0.88382332  0.37396118  0.32623755  1
  C  C24  1  0.37502198  0.88288137  0.82556940  1
  C  C25  1  0.11617306  0.62604302  0.67376152  1
  C  C26  1  0.49729102  0.11695804  0.23029987  1
  C  C27  1  0.88401404  0.50220002  0.27132338  1
  C  C28  1  0.50271193  0.88303473  0.76970258  1
  C  C29  1  0.11598404  0.49780350  0.72867590  1
  C  C30  1  0.46833458  0.14291833  0.35834152  1
  C  C31  1  0.85667497  0.53141750  0.14381415  1
  C  C32  1  0.53166751  0.85707414  0.64166277  1
  C  C33  1  0.14332753  0.46858385  0.85618440  1
  C  C34  1  0.35436637  0.13774546  0.41399882  1
  C  C35  1  0.86165831  0.64520219  0.08789539  1
  C  C36  1  0.64563354  0.86225141  0.58600424  1
  C  C37  1  0.13834725  0.35479778  0.91210287  1
  C  C38  1  0.26762950  0.10736802  0.33961242  1
  C  C39  1  0.89276069  0.73174944  0.16186249  1
  C  C40  1  0.73236958  0.89263112  0.66038904  1
  C  C41  1  0.10724448  0.26825001  0.83813676  1
  C  C42  1  0.29425261  0.08439649  0.21272170  1
  C  C43  1  0.91719698  0.70555504  0.28851285  1
  C  C44  1  0.70574797  0.91560141  0.78727996  1
  C  C45  1  0.08280248  0.29444768  0.71148742  1
  C  C46  1  0.40819657  0.09023178  0.15621578  1
  C  C47  1  0.91199621  0.59129941  0.34483699  1
  C  C48  1  0.59180446  0.90976332  0.84378541  1
  C  C49  1  0.08799892  0.40870506  0.65516285  1
  N  N50  1  0.15441692  0.08632651  0.36608928  1
  N  N51  1  0.91334224  0.84531035  0.13468475  1
  N  N52  1  0.84557834  0.91367837  0.63390915  1
  N  N53  1  0.08666768  0.15468640  0.86531399  1
  N  N54  1  0.11476929  0.04994432  0.26288509  1
  N  N55  1  0.95019957  0.88577167  0.23722135  1
  N  N56  1  0.88522779  0.95006015  0.73711217  1
  N  N57  1  0.04980327  0.11422902  0.76277909  1
  N  N58  1  0.19444927  0.05192510  0.16833051  1
  N  N59  1  0.94912157  0.80657281  0.33206979  1
  N  N60  1  0.80555179  0.94807689  0.83166789  1
  N  N61  1  0.05087727  0.19343026  0.66793060  1
  O  O62  1  0.92758033  0.11207238  0.06831303  1
  O  O63  1  0.89088402  0.07128783  0.43251135  1
  O  O64  1  0.07241952  0.88792885  0.93168387  1
  O  O65  1  0.10911359  0.92871714  0.56748736  1
  O  O66  1  0.69551115  0.15084297  0.24661684  1
  O  O67  1  0.84777726  0.30551499  0.25332526  1
  O  O68  1  0.30448903  0.84915352  0.75338448  1
  O  O69  1  0.15221995  0.69448890  0.74667229  1
  O  O70  1  0.65248148  0.08328058  0.06152773  1
  O  O71  1  0.91993113  0.34371083  0.43790774  1
  O  O72  1  0.34752302  0.91670444  0.93847731  1
  O  O73  1  0.08006338  0.65629421  0.56209088  1
