# generated using pymatgen
data_CoNi2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86445177
_cell_length_b   10.85913462
_cell_length_c   10.85083865
_cell_angle_alpha   89.25170728
_cell_angle_beta   89.04730924
_cell_angle_gamma   63.78123286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi2H8C14(NO)6
_chemical_formula_sum   'Co2 Ni4 H16 C28 N12 O12'
_cell_volume   1148.27254269
_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
  Co  Co0  1  0.90120436  0.09918826  0.25006304  1
  Co  Co1  1  0.09879473  0.90081349  0.74993560  1
  Ni  Ni2  1  0.85785714  0.98498127  -0.00431046  1
  Ni  Ni3  1  0.01487833  0.14224452  0.50442519  1
  Ni  Ni4  1  0.14214824  0.01501768  1.00430962  1
  Ni  Ni5  1  0.98511812  0.85776088  0.49557501  1
  H  H6  1  0.53640368  0.16726515  0.41368441  1
  H  H7  1  0.83150552  0.46409558  0.08742161  1
  H  H8  1  0.46359783  0.83272425  0.58632040  1
  H  H9  1  0.16849963  0.53590516  0.91257508  1
  H  H10  1  0.33172919  0.15498011  0.51195369  1
  H  H11  1  0.84297589  0.66886212  0.98887156  1
  H  H12  1  0.66826630  0.84501872  0.48804771  1
  H  H13  1  0.15703098  0.33113844  0.01112742  1
  H  H14  1  0.42514984  0.07358678  0.05697567  1
  H  H15  1  0.93004889  0.57466692  0.44250736  1
  H  H16  1  0.57485069  0.92641031  0.94302447  1
  H  H17  1  0.06994335  0.42533848  0.55749397  1
  H  H18  1  0.87745085  0.20770185  0.04450453  1
  H  H19  1  0.79261864  0.12254674  0.45583274  1
  H  H20  1  0.12255087  0.79230015  0.95549303  1
  H  H21  1  0.20737856  0.87745765  0.54416435  1
  C  C22  1  0.62613681  0.11657904  0.17469119  1
  C  C23  1  0.88410359  0.37426578  0.32579774  1
  C  C24  1  0.37386569  0.88341225  0.82531141  1
  C  C25  1  0.11589266  0.62573980  0.67420027  1
  C  C26  1  0.49725456  0.11685158  0.22971604  1
  C  C27  1  0.88406392  0.50291044  0.27062800  1
  C  C28  1  0.50274827  0.88313882  0.77028759  1
  C  C29  1  0.11593495  0.49709450  0.72937030  1
  C  C30  1  0.46793511  0.14266029  0.35749806  1
  C  C31  1  0.85690069  0.53243099  0.14320099  1
  C  C32  1  0.53206579  0.85733218  0.64250508  1
  C  C33  1  0.14310174  0.46757138  0.85679604  1
  C  C34  1  0.35391541  0.13735712  0.41359982  1
  C  C35  1  0.86176647  0.64647649  0.08694819  1
  C  C36  1  0.64608175  0.86263919  0.58640160  1
  C  C37  1  0.13823955  0.35352465  0.91305065  1
  C  C38  1  0.26760166  0.10696663  0.33869543  1
  C  C39  1  0.89315392  0.73263285  0.16134698  1
  C  C40  1  0.73239707  0.89303127  0.66130409  1
  C  C41  1  0.10685071  0.26736801  0.83865270  1
  C  C42  1  0.29413399  0.08370524  0.21187577  1
  C  C43  1  0.91802007  0.70570245  0.28774497  1
  C  C44  1  0.70586572  0.91629173  0.78812389  1
  C  C45  1  0.08197887  0.29430116  0.71225579  1
  C  C46  1  0.40798643  0.08978598  0.15558602  1
  C  C47  1  0.91241122  0.59187940  0.34420425  1
  C  C48  1  0.59201582  0.91020811  0.84441517  1
  C  C49  1  0.08758441  0.40812662  0.65579582  1
  N  N50  1  0.15191186  0.09013871  0.36437558  1
  N  N51  1  0.90955956  0.84849137  0.13561234  1
  N  N52  1  0.84808281  0.90986548  0.63562318  1
  N  N53  1  0.09045038  0.15150603  0.86438660  1
  N  N54  1  0.11167674  0.05423671  0.26122327  1
  N  N55  1  0.94683683  0.88838759  0.23818721  1
  N  N56  1  0.88831458  0.94577154  0.73877550  1
  N  N57  1  0.05316870  0.11161136  0.76181355  1
  N  N58  1  0.19194134  0.05453234  0.16686688  1
  N  N59  1  0.94781218  0.80764345  0.33251463  1
  N  N60  1  0.80805591  0.94546889  0.83313328  1
  N  N61  1  0.05218582  0.19235934  0.66748695  1
  O  O62  1  0.92886462  0.11038229  0.06319444  1
  O  O63  1  0.88994758  0.07107277  0.43689183  1
  O  O64  1  0.07113537  0.88961977  0.93680123  1
  O  O65  1  0.11004972  0.92893177  0.56310770  1
  O  O66  1  0.69699194  0.14835992  0.24845739  1
  O  O67  1  0.85146545  0.30361179  0.25239498  1
  O  O68  1  0.30301136  0.85163466  0.75154252  1
  O  O69  1  0.14853084  0.69639239  0.74760324  1
  O  O70  1  0.65448607  0.08346308  0.06189749  1
  O  O71  1  0.91773936  0.34592987  0.43827306  1
  O  O72  1  0.34551878  0.91652028  0.93810710  1
  O  O73  1  0.08225424  0.65407295  0.56172460  1
