# generated using pymatgen
data_CrCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86915220
_cell_length_b   10.86996577
_cell_length_c   10.86249464
_cell_angle_alpha   89.17389682
_cell_angle_beta   88.90300087
_cell_angle_gamma   63.71861125
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoNiH8C14(NO)6
_chemical_formula_sum   'Cr2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1150.47634310
_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  0.90432033  0.09921652  0.25677439  1
  Ni  Ni1  1  0.09567941  0.90078450  0.74322382  1
  Cr  Cr2  1  0.85706567  0.99097457  -0.00652819  1
  Co  Co3  1  0.01837985  0.14010517  0.50627832  1
  Cr  Cr4  1  0.14293785  0.00902105  1.00652719  1
  Co  Co5  1  0.98161681  0.85989959  0.49372107  1
  H  H6  1  0.54183546  0.16809736  0.41142700  1
  H  H7  1  0.83013409  0.46333431  0.08716586  1
  H  H8  1  0.45816932  0.83189244  0.58857708  1
  H  H9  1  0.16987077  0.53666624  0.91283084  1
  H  H10  1  0.33783133  0.15665081  0.51002190  1
  H  H11  1  0.84188346  0.66759171  0.98907360  1
  H  H12  1  0.66216678  0.84334705  0.48998033  1
  H  H13  1  0.15812428  0.33240720  0.01092308  1
  H  H14  1  0.42713082  0.07626478  0.05517584  1
  H  H15  1  0.92832140  0.57488812  0.44157076  1
  H  H16  1  0.57287073  0.92373124  0.94482736  1
  H  H17  1  0.07167049  0.42511803  0.55842852  1
  H  H18  1  0.89444158  0.20582855  0.04790753  1
  H  H19  1  0.79014486  0.12593492  0.46254754  1
  H  H20  1  0.10555771  0.79416869  0.95208663  1
  H  H21  1  0.20985192  0.87407065  0.53744812  1
  C  C22  1  0.63101947  0.11521396  0.17275189  1
  C  C23  1  0.88379560  0.37462208  0.32544347  1
  C  C24  1  0.36898287  0.88477902  0.82725202  1
  C  C25  1  0.11620082  0.62538200  0.67455447  1
  C  C26  1  0.50294077  0.11626290  0.22753894  1
  C  C27  1  0.88315033  0.50263390  0.26985557  1
  C  C28  1  0.49706061  0.88373071  0.77246362  1
  C  C29  1  0.11684687  0.49736978  0.73014207  1
  C  C30  1  0.47383733  0.14299040  0.35542517  1
  C  C31  1  0.85566712  0.53165774  0.14261071  1
  C  C32  1  0.52616566  0.85700232  0.64457779  1
  C  C33  1  0.14433526  0.46834417  0.85738682  1
  C  C34  1  0.35999536  0.13787982  0.41202297  1
  C  C35  1  0.86098967  0.64571409  0.08691452  1
  C  C36  1  0.64000566  0.86211680  0.58797920  1
  C  C37  1  0.13901505  0.35428730  0.91308313  1
  C  C38  1  0.27273846  0.10844150  0.33826303  1
  C  C39  1  0.89254208  0.73164815  0.16091611  1
  C  C40  1  0.72726034  0.89155807  0.66173827  1
  C  C41  1  0.10746228  0.26835230  0.83908308  1
  C  C42  1  0.29666519  0.08990358  0.21102725  1
  C  C43  1  0.91732212  0.70500631  0.28695130  1
  C  C44  1  0.70333416  0.91009479  0.78897502  1
  C  C45  1  0.08267630  0.29499465  0.71304744  1
  C  C46  1  0.41163822  0.09196340  0.15376942  1
  C  C47  1  0.91114192  0.59152539  0.34333505  1
  C  C48  1  0.58836243  0.90803184  0.84623346  1
  C  C49  1  0.08885335  0.40847912  0.65666384  1
  N  N50  1  0.16007881  0.08528589  0.36577035  1
  N  N51  1  0.91644840  0.84338721  0.13410281  1
  N  N52  1  0.83991581  0.91471999  0.63422927  1
  N  N53  1  0.08356258  0.15660980  0.86589599  1
  N  N54  1  0.11904135  0.05008350  0.26382695  1
  N  N55  1  0.95559693  0.88275257  0.23643239  1
  N  N56  1  0.88095417  0.94992140  0.73617122  1
  N  N57  1  0.04440690  0.11724888  0.76356949  1
  N  N58  1  0.19348659  0.06307161  0.16731432  1
  N  N59  1  0.95313131  0.80341572  0.33041987  1
  N  N60  1  0.80651010  0.93693085  0.83268676  1
  N  N61  1  0.04686881  0.19658607  0.66957998  1
  O  O62  1  0.94076547  0.10798685  0.06830550  1
  O  O63  1  0.88577830  0.07400998  0.43697620  1
  O  O64  1  0.05923027  0.89201108  0.93169240  1
  O  O65  1  0.11421922  0.92599395  0.56302299  1
  O  O66  1  0.70085044  0.15223522  0.24113513  1
  O  O67  1  0.85125749  0.30277316  0.25321965  1
  O  O68  1  0.29914940  0.84776210  0.75886818  1
  O  O69  1  0.14874057  0.69723022  0.74677797  1
  O  O70  1  0.66277034  0.07629861  0.05955417  1
  O  O71  1  0.91809870  0.34698748  0.43774176  1
  O  O72  1  0.33723169  0.92369380  0.94045000  1
  O  O73  1  0.08189664  0.65301728  0.56225682  1
