# generated using pymatgen
data_MnCrCoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.85179286
_cell_length_b   10.84715352
_cell_length_c   10.98221797
_cell_angle_alpha   88.98162862
_cell_angle_beta   88.80662945
_cell_angle_gamma   63.83492714
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrCoH8C14(NO)6
_chemical_formula_sum   'Mn2 Cr2 Co2 H16 C28 N12 O12'
_cell_volume   1159.95441806
_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
  Cr  Cr0  1  0.90369753  0.09276858  0.24599299  1
  Cr  Cr1  1  0.09630138  0.90723263  0.75400667  1
  Co  Co2  1  0.85752587  0.98270342  -0.01024993  1
  Mn  Mn3  1  0.00136834  0.15157520  0.50958021  1
  Co  Co4  1  0.14247470  0.01729644  1.01024974  1
  Mn  Mn5  1  0.99862968  0.84842752  0.49042002  1
  H  H6  1  0.53686637  0.17157041  0.40568192  1
  H  H7  1  0.82465484  0.46177240  0.08336555  1
  H  H8  1  0.46313686  0.82842306  0.59431958  1
  H  H9  1  0.17535062  0.53822555  0.91663230  1
  H  H10  1  0.33589917  0.15442060  0.50596922  1
  H  H11  1  0.83575209  0.66534255  0.98311401  1
  H  H12  1  0.66410154  0.84557693  0.49403146  1
  H  H13  1  0.16425640  0.33465382  0.01688371  1
  H  H14  1  0.42190521  0.07696791  0.05581389  1
  H  H15  1  0.93083856  0.57309494  0.42990685  1
  H  H16  1  0.57809712  0.92302689  0.94418721  1
  H  H17  1  0.06915416  0.42690965  0.57009369  1
  H  H18  1  0.87530721  0.20621044  0.03925362  1
  H  H19  1  0.78432913  0.10704533  0.44762673  1
  H  H20  1  0.12469243  0.79379005  0.96074580  1
  H  H21  1  0.21566824  0.89295792  0.55237280  1
  C  C22  1  0.62545867  0.11515979  0.16947621  1
  C  C23  1  0.88448983  0.37390627  0.32073626  1
  C  C24  1  0.37454163  0.88483809  0.83052372  1
  C  C25  1  0.11550802  0.62609582  0.67926323  1
  C  C26  1  0.49714303  0.11769960  0.22560279  1
  C  C27  1  0.88150753  0.50094309  0.26235417  1
  C  C28  1  0.50285834  0.88229699  0.77439802  1
  C  C29  1  0.11849174  0.49905785  0.73764501  1
  C  C30  1  0.46906242  0.14432888  0.35209210  1
  C  C31  1  0.85145656  0.53028393  0.13661354  1
  C  C32  1  0.53093962  0.85566676  0.64790887  1
  C  C33  1  0.14854697  0.46971522  0.86338463  1
  C  C34  1  0.35726952  0.13565978  0.40899972  1
  C  C35  1  0.85677931  0.64380841  0.07970827  1
  C  C36  1  0.64273106  0.86433788  0.59100062  1
  C  C37  1  0.14322576  0.35618977  0.92028987  1
  C  C38  1  0.27189223  0.10099216  0.33738894  1
  C  C39  1  0.89237581  0.72953599  0.15001315  1
  C  C40  1  0.72810694  0.89900815  0.66261148  1
  C  C41  1  0.10762633  0.27046379  0.84998597  1
  C  C42  1  0.29505082  0.08097949  0.21121101  1
  C  C43  1  0.92039318  0.70177733  0.27450798  1
  C  C44  1  0.70494958  0.91901882  0.78878949  1
  C  C45  1  0.07960462  0.29822465  0.72549190  1
  C  C46  1  0.40667432  0.09093733  0.15367793  1
  C  C47  1  0.91231450  0.58986465  0.33283884  1
  C  C48  1  0.59332738  0.90905892  0.84632283  1
  C  C49  1  0.08768172  0.41013814  0.66716117  1
  N  N50  1  0.16083701  0.07790497  0.36757133  1
  N  N51  1  0.91383581  0.84363956  0.12265869  1
  N  N52  1  0.83916051  0.92209796  0.63242832  1
  N  N53  1  0.08616608  0.15636033  0.87734071  1
  N  N54  1  0.11229635  0.05042220  0.26537141  1
  N  N55  1  0.95121947  0.88437551  0.22449848  1
  N  N56  1  0.88770249  0.94957907  0.73462814  1
  N  N57  1  0.04877920  0.11562628  0.77550168  1
  N  N58  1  0.19334010  0.04902669  0.17002651  1
  N  N59  1  0.95863419  0.79801460  0.31637947  1
  N  N60  1  0.80666060  0.95097193  0.82997380  1
  N  N61  1  0.04136100  0.20198915  0.68362134  1
  O  O62  1  0.92539851  0.11180426  0.06834272  1
  O  O63  1  0.88193321  0.06803899  0.42640795  1
  O  O64  1  0.07460117  0.88819637  0.93165672  1
  O  O65  1  0.11806441  0.93196321  0.57359227  1
  O  O66  1  0.70138174  0.14365682  0.24152881  1
  O  O67  1  0.85291719  0.29685283  0.25334670  1
  O  O68  1  0.29861811  0.85634390  0.75847125  1
  O  O69  1  0.14708235  0.70314817  0.74665199  1
  O  O70  1  0.65107555  0.08436624  0.05810573  1
  O  O71  1  0.91983790  0.34956735  0.43163309  1
  O  O72  1  0.34892531  0.91563099  0.94189501  1
  O  O73  1  0.08015733  0.65043569  0.56836658  1
