# generated using pymatgen
data_CrCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86394805
_cell_length_b   10.86302526
_cell_length_c   10.86474777
_cell_angle_alpha   89.17360987
_cell_angle_beta   88.90762087
_cell_angle_gamma   63.73420891
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoNiH8C14(NO)6
_chemical_formula_sum   'Cr2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1149.58550370
_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  0.90963755  0.09616920  0.25635502  1
  Co  Co1  1  0.09036448  0.90383226  0.74364451  1
  Cr  Cr2  1  0.85760635  0.98955120  -0.00343389  1
  Ni  Ni3  1  0.01868809  0.13971672  0.50521860  1
  Cr  Cr4  1  0.14239695  0.01044487  1.00343433  1
  Ni  Ni5  1  0.98130736  0.86028929  0.49478097  1
  H  H6  1  0.54134587  0.16732688  0.41127685  1
  H  H7  1  0.83024978  0.46332710  0.08842007  1
  H  H8  1  0.45865966  0.83266239  0.58872527  1
  H  H9  1  0.16975439  0.53667217  0.91157704  1
  H  H10  1  0.33641148  0.15678092  0.50945674  1
  H  H11  1  0.84199158  0.66785332  0.99035464  1
  H  H12  1  0.66358854  0.84321681  0.49054540  1
  H  H13  1  0.15801640  0.33214462  0.00964342  1
  H  H14  1  0.42742526  0.07646155  0.05487159  1
  H  H15  1  0.92820786  0.57442302  0.44297530  1
  H  H16  1  0.57257569  0.92353436  0.94513140  1
  H  H17  1  0.07178334  0.42558299  0.55702430  1
  H  H18  1  0.89300112  0.20811304  0.04748452  1
  H  H19  1  0.79068510  0.12717464  0.46369845  1
  H  H20  1  0.10699787  0.79188292  0.95250961  1
  H  H21  1  0.20931132  0.87283032  0.53629828  1
  C  C22  1  0.63140393  0.11444398  0.17362604  1
  C  C23  1  0.88529711  0.37264095  0.32465158  1
  C  C24  1  0.36859907  0.88555010  0.82637617  1
  C  C25  1  0.11469883  0.62736349  0.67534656  1
  C  C26  1  0.50289042  0.11597269  0.22762527  1
  C  C27  1  0.88380284  0.50168461  0.27082127  1
  C  C28  1  0.49711262  0.88402005  0.77237705  1
  C  C29  1  0.11619488  0.49831902  0.72917729  1
  C  C30  1  0.47308329  0.14257981  0.35542023  1
  C  C31  1  0.85593204  0.53144483  0.14390997  1
  C  C32  1  0.52692048  0.85741271  0.64458235  1
  C  C33  1  0.14407009  0.46855609  0.85608712  1
  C  C34  1  0.35902459  0.13776990  0.41151998  1
  C  C35  1  0.86103157  0.64549256  0.08810856  1
  C  C36  1  0.64097596  0.86222636  0.58848271  1
  C  C37  1  0.13897324  0.35450803  0.91188877  1
  C  C38  1  0.27192593  0.10778283  0.33733740  1
  C  C39  1  0.89270448  0.73141950  0.16228132  1
  C  C40  1  0.72807224  0.89221691  0.66266528  1
  C  C41  1  0.10730101  0.26858053  0.83771733  1
  C  C42  1  0.29677325  0.08875623  0.21021465  1
  C  C43  1  0.91742538  0.70494944  0.28834611  1
  C  C44  1  0.70322524  0.91124315  0.78978833  1
  C  C45  1  0.08257473  0.29505254  0.71165258  1
  C  C46  1  0.41162079  0.09169810  0.15338509  1
  C  C47  1  0.91133038  0.59091824  0.34465509  1
  C  C48  1  0.58837970  0.90829782  0.84661774  1
  C  C49  1  0.08866555  0.40908561  0.65534401  1
  N  N50  1  0.15848135  0.08637363  0.36463072  1
  N  N51  1  0.91455238  0.84467616  0.13611121  1
  N  N52  1  0.84151258  0.91363331  0.63536995  1
  N  N53  1  0.08545355  0.15532325  0.86388617  1
  N  N54  1  0.11827212  0.05074834  0.26206867  1
  N  N55  1  0.95622808  0.88225273  0.23797527  1
  N  N56  1  0.88172032  0.94926021  0.73793132  1
  N  N57  1  0.04377474  0.11774720  0.76202388  1
  N  N58  1  0.19394055  0.06131032  0.16603108  1
  N  N59  1  0.95163288  0.80453861  0.33252743  1
  N  N60  1  0.80605428  0.93869483  0.83397028  1
  N  N61  1  0.04836608  0.19546324  0.66747189  1
  O  O62  1  0.94071837  0.10948490  0.06387571  1
  O  O63  1  0.88701232  0.07342753  0.44147081  1
  O  O64  1  0.05928360  0.89051190  0.93612112  1
  O  O65  1  0.11298495  0.92657674  0.55852895  1
  O  O66  1  0.70218964  0.14963125  0.24260785  1
  O  O67  1  0.85309203  0.30182136  0.25046863  1
  O  O68  1  0.29781306  0.85036187  0.75739442  1
  O  O69  1  0.14690137  0.69818331  0.74953091  1
  O  O70  1  0.66316983  0.07600427  0.06007690  1
  O  O71  1  0.91993274  0.34278667  0.43644333  1
  O  O72  1  0.33683243  0.92398987  0.93992496  1
  O  O73  1  0.08006563  0.65721463  0.56355474  1
