# generated using pymatgen
data_CoNiH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04535078
_cell_length_b   12.24334284
_cell_length_c   11.33945043
_cell_angle_alpha   79.67880135
_cell_angle_beta   80.89200326
_cell_angle_gamma   70.68611765
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiH40C40(N2O)8
_chemical_formula_sum   'Co1 Ni1 H40 C40 N16 O8'
_cell_volume   1031.12352783
_cell_formula_units_Z   1
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  -0.00003552  -0.00024429  0.00003603  1
  Ni  Ni1  1  0.49999687  0.50000303  0.50000218  1
  H  H2  1  0.23894653  0.43870875  0.83531084  1
  H  H3  1  0.76105685  0.56128638  0.16469688  1
  H  H4  1  0.81273359  0.37390659  0.08820486  1
  H  H5  1  0.18726975  0.62609004  0.91180022  1
  H  H6  1  0.70889556  0.09878776  0.82440775  1
  H  H7  1  0.29110408  0.90121560  0.17558804  1
  H  H8  1  0.65968832  0.09995703  0.19226087  1
  H  H9  1  0.34031562  0.90004295  0.80773626  1
  H  H10  1  0.33864123  0.20892478  0.11652894  1
  H  H11  1  0.66135792  0.79107262  0.88346810  1
  H  H12  1  0.37997245  0.18869407  0.87842142  1
  H  H13  1  0.62002542  0.81130325  0.12157405  1
  H  H14  1  0.09640689  0.15520721  0.76484984  1
  H  H15  1  0.90360770  0.84481365  0.23514064  1
  H  H16  1  0.97651486  0.83989255  0.81917082  1
  H  H17  1  0.02349305  0.16012975  0.18082724  1
  H  H18  1  0.08990420  0.87941582  0.58294077  1
  H  H19  1  0.91010831  0.12058922  0.41706350  1
  H  H20  1  0.15018292  0.08659237  0.55229850  1
  H  H21  1  0.84983159  0.91341272  0.44769045  1
  H  H22  1  0.42681307  0.19569402  0.37684458  1
  H  H23  1  0.57318793  0.80430950  0.62315316  1
  H  H24  1  0.62487374  0.96990449  0.69481530  1
  H  H25  1  0.37513178  0.03009805  0.30517946  1
  H  H26  1  0.36973247  0.69824349  0.28808466  1
  H  H27  1  0.63025627  0.30176095  0.71191875  1
  H  H28  1  0.55777541  0.33508319  0.30762124  1
  H  H29  1  0.44223083  0.66492292  0.69238186  1
  H  H30  1  0.42538658  0.41808221  0.09314206  1
  H  H31  1  0.57461712  0.58192054  0.90686164  1
  H  H32  1  0.31193058  0.65338620  0.08404368  1
  H  H33  1  0.68806100  0.34661580  0.91595900  1
  H  H34  1  0.22331427  0.39108273  0.63563581  1
  H  H35  1  0.77669061  0.60892070  0.36436382  1
  H  H36  1  0.15964827  0.72374403  0.45746299  1
  H  H37  1  0.84033522  0.27626402  0.54254275  1
  H  H38  1  0.83729696  0.71605505  0.56293193  1
  H  H39  1  0.16269262  0.28394073  0.43706908  1
  H  H40  1  0.89430812  0.50173866  0.69251031  1
  H  H41  1  0.10569588  0.49825582  0.30749236  1
  C  C42  1  0.04791290  0.28141752  0.90693389  1
  C  C43  1  0.95208038  0.71857218  0.09307329  1
  C  C44  1  0.02684962  0.39358558  0.95469028  1
  C  C45  1  0.97315189  0.60641226  0.04531523  1
  C  C46  1  0.13280661  0.46523903  0.90721856  1
  C  C47  1  0.86719654  0.53475728  0.09278833  1
  C  C48  1  0.89516664  0.42935594  0.04913803  1
  C  C49  1  0.10483535  0.57064184  0.95086777  1
  C  C50  1  0.62616763  0.10930485  0.10175931  1
  C  C51  1  0.37383563  0.89070343  0.89823657  1
  C  C52  1  0.45959865  0.16534386  0.06263204  1
  C  C53  1  0.54039712  0.83465248  0.93736529  1
  C  C54  1  0.47855113  0.15493730  0.94191100  1
  C  C55  1  0.52144774  0.84506011  0.05808639  1
  C  C56  1  0.01107581  0.91592437  0.77258117  1
  C  C57  1  0.98893707  0.08409698  0.22742219  1
  C  C58  1  0.07127538  0.93563638  0.65171238  1
  C  C59  1  0.92873425  0.06437072  0.34828650  1
  C  C60  1  0.10648870  0.04057429  0.63575814  1
  C  C61  1  0.89352052  0.95944003  0.36423287  1
  C  C62  1  0.54275110  0.19819000  0.58692881  1
  C  C63  1  0.45724513  0.80181332  0.41306927  1
  C  C64  1  0.52417153  0.09490585  0.54219033  1
  C  C65  1  0.47583236  0.90509636  0.45780521  1
  C  C66  1  0.45601756  0.11004337  0.43197858  1
  C  C67  1  0.54398738  0.88995873  0.56801675  1
  C  C68  1  0.56919740  0.98365430  0.60962197  1
  C  C69  1  0.43080873  0.01634773  0.39037275  1
  C  C70  1  0.49279935  0.42541745  0.27370056  1
  C  C71  1  0.50720084  0.57458769  0.72630387  1
  C  C72  1  0.43131641  0.46861466  0.16155917  1
  C  C73  1  0.56868240  0.53138876  0.83844506  1
  C  C74  1  0.36903264  0.58872504  0.15747171  1
  C  C75  1  0.63095775  0.41127832  0.84253280  1
  C  C76  1  0.12976130  0.65181155  0.51768161  1
  C  C77  1  0.87022868  0.34819396  0.48232278  1
  C  C78  1  0.96447613  0.64902653  0.57461681  1
  C  C79  1  0.03551562  0.35097224  0.42538655  1
  C  C80  1  0.99144870  0.53927245  0.63992619  1
  C  C81  1  0.00855077  0.46072588  0.36007583  1
  N  N82  1  0.74326711  0.06595045  0.00882516  1
  N  N83  1  0.25675174  0.93413214  0.99115239  1
  N  N84  1  0.64883440  0.09279151  0.91133770  1
  N  N85  1  0.35116930  0.90721131  0.08865998  1
  N  N86  1  0.00691053  1.00662377  0.82793105  1
  N  N87  1  0.99310590  -0.00657865  0.17205397  1
  N  N88  1  0.07070987  0.08106894  0.74289955  1
  N  N89  1  0.92929504  0.91895154  0.25709042  1
  N  N90  1  0.46540753  0.51528892  0.33628796  1
  N  N91  1  0.53458466  0.48471678  0.66371684  1
  N  N92  1  0.38837533  0.61474432  0.26391908  1
  N  N93  1  0.61160974  0.38526015  0.73608631  1
  N  N94  1  0.25233639  0.54723742  0.54570601  1
  N  N95  1  0.74765918  0.45277033  0.45429845  1
  N  N96  1  0.16555972  0.48025231  0.62354762  1
  N  N97  1  0.83444124  0.51975092  0.37645386  1
  O  O98  1  0.98112363  0.20899629  0.97442379  1
  O  O99  1  0.01886341  0.79100807  0.02556993  1
  O  O100  1  0.12923543  0.26795201  0.80130157  1
  O  O101  1  0.87077814  0.73205220  0.19869577  1
  O  O102  1  0.44714600  0.29826818  0.54488766  1
  O  O103  1  0.55284420  0.70173399  0.45511159  1
  O  O104  1  0.65511451  0.17780648  0.66256670  1
  O  O105  1  0.34488298  0.82219918  0.33742948  1
