# generated using pymatgen
data_CoNiH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04282720
_cell_length_b   12.24145457
_cell_length_c   11.33553896
_cell_angle_alpha   79.67315774
_cell_angle_beta   80.89041771
_cell_angle_gamma   70.68489663
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiH40C40(N2O)8
_chemical_formula_sum   'Co1 Ni1 H40 C40 N16 O8'
_cell_volume   1030.26011858
_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
  Ni  Ni0  1  0.00000063  -0.00000072  -0.00000155  1
  Co  Co1  1  0.49999808  0.50014403  0.49998973  1
  H  H2  1  0.24040419  0.43941908  0.83580499  1
  H  H3  1  0.75960047  0.56057602  0.16420219  1
  H  H4  1  0.81243059  0.37355814  0.08619327  1
  H  H5  1  0.18757188  0.62643835  0.91381070  1
  H  H6  1  0.70915407  0.09824496  0.82454180  1
  H  H7  1  0.29084810  0.90175403  0.17545490  1
  H  H8  1  0.65958726  0.10002096  0.19155110  1
  H  H9  1  0.34041400  0.89997909  0.80844527  1
  H  H10  1  0.33782873  0.20828676  0.11664430  1
  H  H11  1  0.66217249  0.79171068  0.88335172  1
  H  H12  1  0.37984096  0.18888399  0.87820557  1
  H  H13  1  0.62016192  0.81111262  0.12179081  1
  H  H14  1  0.09676571  0.15527053  0.76480099  1
  H  H15  1  0.90323549  0.84473069  0.23520259  1
  H  H16  1  0.97715100  0.84055918  0.82175012  1
  H  H17  1  0.02285988  0.15943910  0.17824037  1
  H  H18  1  0.08753845  0.87954008  0.58446114  1
  H  H19  1  0.91247910  0.12046407  0.41553126  1
  H  H20  1  0.15061323  0.08598697  0.55290503  1
  H  H21  1  0.84939782  0.91401908  0.44709546  1
  H  H22  1  0.42666086  0.19550350  0.37679333  1
  H  H23  1  0.57334041  0.80449727  0.62320335  1
  H  H24  1  0.62450490  0.96991936  0.69495523  1
  H  H25  1  0.37549788  0.03008215  0.30503630  1
  H  H26  1  0.37014755  0.69743408  0.28907947  1
  H  H27  1  0.62984329  0.30256061  0.71092208  1
  H  H28  1  0.55814434  0.33380729  0.30548711  1
  H  H29  1  0.44186156  0.66619422  0.69451085  1
  H  H30  1  0.42512548  0.41907400  0.09161545  1
  H  H31  1  0.57487695  0.58092733  0.90838490  1
  H  H32  1  0.31095049  0.65410868  0.08497410  1
  H  H33  1  0.68903988  0.34589526  0.91503244  1
  H  H34  1  0.22475542  0.39172194  0.63540161  1
  H  H35  1  0.77525386  0.60827182  0.36459978  1
  H  H36  1  0.15641382  0.72552711  0.45640667  1
  H  H37  1  0.84357744  0.27446880  0.54360337  1
  H  H38  1  0.83560364  0.71591674  0.56386900  1
  H  H39  1  0.16438904  0.28407409  0.43613598  1
  H  H40  1  0.89551618  0.50112126  0.69257112  1
  H  H41  1  0.10448837  0.49886813  0.30743528  1
  C  C42  1  0.04830830  0.28261890  0.90508815  1
  C  C43  1  0.95169146  0.71737960  0.09491419  1
  C  C44  1  0.02708149  0.39423018  0.95359211  1
  C  C45  1  0.97292116  0.60576673  0.04641275  1
  C  C46  1  0.13360506  0.46572788  0.90740430  1
  C  C47  1  0.86639884  0.53426815  0.09260183  1
  C  C48  1  0.89475146  0.42930426  0.04796514  1
  C  C49  1  0.10525160  0.57069248  0.95204001  1
  C  C50  1  0.62594133  0.10948984  0.10106743  1
  C  C51  1  0.37405992  0.89050838  0.89892956  1
  C  C52  1  0.45922708  0.16562165  0.06244360  1
  C  C53  1  0.54077424  0.83437588  0.93755309  1
  C  C54  1  0.47835525  0.15525663  0.94169100  1
  C  C55  1  0.52164680  0.84474042  0.05830584  1
  C  C56  1  0.01170213  0.91640402  0.77440859  1
  C  C57  1  0.98830683  0.08359588  0.22558507  1
  C  C58  1  0.07058059  0.93570479  0.65311721  1
  C  C59  1  0.92943228  0.06429827  0.34687721  1
  C  C60  1  0.10601078  0.04062304  0.63664071  1
  C  C61  1  0.89399665  0.95938119  0.36335790  1
  C  C62  1  0.54383969  0.19910240  0.58600413  1
  C  C63  1  0.45615379  0.80090242  0.41399540  1
  C  C64  1  0.52349698  0.09550215  0.54233966  1
  C  C65  1  0.47650679  0.90449808  0.45765275  1
  C  C66  1  0.45550024  0.10996845  0.43216836  1
  C  C67  1  0.54450325  0.89003134  0.56782564  1
  C  C68  1  0.56879715  0.98399711  0.60965023  1
  C  C69  1  0.43120463  0.01600439  0.39034191  1
  C  C70  1  0.49370398  0.42436445  0.27220240  1
  C  C71  1  0.50629569  0.57563663  0.72780023  1
  C  C72  1  0.43079040  0.46893750  0.16079423  1
  C  C73  1  0.56920948  0.53106360  0.83920717  1
  C  C74  1  0.36876251  0.58896148  0.15791479  1
  C  C75  1  0.63122992  0.41103716  0.84208854  1
  C  C76  1  0.12773242  0.65320408  0.51639904  1
  C  C77  1  0.87225375  0.34679295  0.48360606  1
  C  C78  1  0.96343505  0.64924117  0.57433975  1
  C  C79  1  0.03655546  0.35075078  0.42566932  1
  C  C80  1  0.99190960  0.53926696  0.63965445  1
  C  C81  1  0.00809506  0.46072370  0.36035150  1
  N  N82  1  0.74287480  0.06619795  0.00844446  1
  N  N83  1  0.25712692  0.93380064  0.99155230  1
  N  N84  1  0.64841992  0.09283253  0.91124175  1
  N  N85  1  0.35158248  0.90716486  0.08875464  1
  N  N86  1  0.00821266  1.00697207  0.82938485  1
  N  N87  1  0.99178979  -0.00697285  0.17061212  1
  N  N88  1  0.07079919  0.08117089  0.74342426  1
  N  N89  1  0.92920229  0.91883143  0.25657546  1
  N  N90  1  0.46798317  0.51394888  0.33547513  1
  N  N91  1  0.53197925  0.48604318  0.66454277  1
  N  N92  1  0.38938231  0.61406938  0.26443178  1
  N  N93  1  0.61061066  0.38592740  0.73557229  1
  N  N94  1  0.25127579  0.54858237  0.54381893  1
  N  N95  1  0.74871348  0.45141359  0.45616790  1
  N  N96  1  0.16646822  0.48076842  0.62277109  1
  N  N97  1  0.83354283  0.51922691  0.37722678  1
  O  O98  1  0.97976474  0.21093961  0.97185423  1
  O  O99  1  0.02022844  0.78906016  0.02814526  1
  O  O100  1  0.13121928  0.26918602  0.79974362  1
  O  O101  1  0.86878253  0.73081274  0.20026025  1
  O  O102  1  0.45225509  0.29980759  0.54188077  1
  O  O103  1  0.54773733  0.70019166  0.45812817  1
  O  O104  1  0.65444931  0.17820272  0.66298859  1
  O  O105  1  0.34554934  0.82179964  0.33701337  1
