# generated using pymatgen
data_VCoH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05606906
_cell_length_b   12.22156115
_cell_length_c   11.35695795
_cell_angle_alpha   79.70650483
_cell_angle_beta   80.90286178
_cell_angle_gamma   70.75175583
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCoH40C40(N2O)8
_chemical_formula_sum   'V1 Co1 H40 C40 N16 O8'
_cell_volume   1032.74240198
_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
  V  V0  1  0.00000080  0.00000055  -0.00000118  1
  Co  Co1  1  0.49997879  0.50021104  0.49998055  1
  H  H2  1  0.23471163  0.43261105  0.83641310  1
  H  H3  1  0.76528963  0.56738317  0.16359016  1
  H  H4  1  0.81327128  0.37676019  0.09863714  1
  H  H5  1  0.18673147  0.62323300  0.90136606  1
  H  H6  1  0.70299205  0.09938456  0.82411313  1
  H  H7  1  0.29701024  0.90061413  0.17588427  1
  H  H8  1  0.65693168  0.10031496  0.19265469  1
  H  H9  1  0.34307030  0.89968703  0.80734260  1
  H  H10  1  0.33560070  0.21113598  0.11686222  1
  H  H11  1  0.66439883  0.78886154  0.88313528  1
  H  H12  1  0.37466524  0.18994796  0.87965088  1
  H  H13  1  0.62533658  0.81004868  0.12034643  1
  H  H14  1  0.09215500  0.15576405  0.76014343  1
  H  H15  1  0.90784345  0.84424161  0.23985935  1
  H  H16  1  0.97619738  0.83879654  0.81437268  1
  H  H17  1  0.02381099  0.16120454  0.18562089  1
  H  H18  1  0.09336962  0.87757915  0.57912002  1
  H  H19  1  0.90664309  0.12242513  0.42087539  1
  H  H20  1  0.14821489  0.08735649  0.54751347  1
  H  H21  1  0.85179419  0.91264895  0.45248749  1
  H  H22  1  0.42552201  0.19455521  0.37439196  1
  H  H23  1  0.57447777  0.80544239  0.62560247  1
  H  H24  1  0.62313693  0.97326852  0.69422571  1
  H  H25  1  0.37686889  0.02672696  0.30576792  1
  H  H26  1  0.37005314  0.69763242  0.28904920  1
  H  H27  1  0.62993454  0.30237052  0.71094655  1
  H  H28  1  0.55828522  0.33425797  0.30680396  1
  H  H29  1  0.44170709  0.66574072  0.69320603  1
  H  H30  1  0.42341142  0.41819671  0.09308782  1
  H  H31  1  0.57660365  0.58179250  0.90691532  1
  H  H32  1  0.31286678  0.65357856  0.08430180  1
  H  H33  1  0.68713252  0.34641466  0.91569699  1
  H  H34  1  0.22430316  0.39076783  0.63515546  1
  H  H35  1  0.77574597  0.60922578  0.36482468  1
  H  H36  1  0.15917089  0.72487703  0.45877782  1
  H  H37  1  0.84081142  0.27512373  0.54122159  1
  H  H38  1  0.83764066  0.71641396  0.56588003  1
  H  H39  1  0.16233768  0.28357017  0.43414066  1
  H  H40  1  0.89619068  0.50086691  0.69422654  1
  H  H41  1  0.10383967  0.49911129  0.30578286  1
  C  C42  1  0.04774830  0.27420467  0.91355902  1
  C  C43  1  0.95225278  0.72579114  0.08644170  1
  C  C44  1  0.02558165  0.38864265  0.96104952  1
  C  C45  1  0.97441996  0.61135129  0.03895318  1
  C  C46  1  0.12965433  0.46082302  0.90822879  1
  C  C47  1  0.87034709  0.53917076  0.09177483  1
  C  C48  1  0.89633009  0.43031249  0.05473086  1
  C  C49  1  0.10367182  0.56968110  0.94527253  1
  C  C50  1  0.62161727  0.11088976  0.10230120  1
  C  C51  1  0.37838361  0.88911066  0.89769642  1
  C  C52  1  0.45596388  0.16648626  0.06340252  1
  C  C53  1  0.54403670  0.83351157  0.93659529  1
  C  C54  1  0.47375100  0.15653914  0.94227699  1
  C  C55  1  0.52625064  0.84345763  0.05772080  1
  C  C56  1  0.01199438  0.91438550  0.76770139  1
  C  C57  1  0.98801431  0.08561589  0.23229488  1
  C  C58  1  0.07191425  0.93486415  0.64729474  1
  C  C59  1  0.92809802  0.06513869  0.35270179  1
  C  C60  1  0.10430666  0.04129687  0.63093058  1
  C  C61  1  0.89570035  0.95870795  0.36906897  1
  C  C62  1  0.54228693  0.20040221  0.58451958  1
  C  C63  1  0.45769816  0.79960421  0.41548647  1
  C  C64  1  0.52241817  0.09675258  0.54079135  1
  C  C65  1  0.47757467  0.90324890  0.45920639  1
  C  C66  1  0.45530413  0.10951796  0.43084188  1
  C  C67  1  0.54469927  0.89048142  0.56915297  1
  C  C68  1  0.56810921  0.98577502  0.60917107  1
  C  C69  1  0.43189574  0.01422449  0.39082228  1
  C  C70  1  0.49259499  0.42454331  0.27305379  1
  C  C71  1  0.50739439  0.57545592  0.72695550  1
  C  C72  1  0.43019411  0.46835104  0.16158530  1
  C  C73  1  0.56981251  0.53164180  0.83841781  1
  C  C74  1  0.36775382  0.58862765  0.15811564  1
  C  C75  1  0.63224487  0.41136496  0.84188456  1
  C  C76  1  0.12924934  0.65299969  0.51900199  1
  C  C77  1  0.87073171  0.34700102  0.48099911  1
  C  C78  1  0.96471725  0.64917455  0.57621342  1
  C  C79  1  0.03527329  0.35081483  0.42379530  1
  C  C80  1  0.99218722  0.53868491  0.64045846  1
  C  C81  1  0.00782904  0.46130059  0.35954194  1
  N  N82  1  0.73913935  0.06832284  0.00835514  1
  N  N83  1  0.26086220  0.93167806  0.99164247  1
  N  N84  1  0.64280761  0.09426753  0.91082459  1
  N  N85  1  0.35719463  0.90573119  0.08917356  1
  N  N86  1  0.00847795  1.00484554  0.82407568  1
  N  N87  1  0.99152342  -0.00484334  0.17592186  1
  N  N88  1  0.06639191  0.08251904  0.73701905  1
  N  N89  1  0.93360739  0.91748544  0.26298069  1
  N  N90  1  0.46532495  0.51458829  0.33600882  1
  N  N91  1  0.53463820  0.48541287  0.66400118  1
  N  N92  1  0.38692230  0.61437290  0.26461821  1
  N  N93  1  0.61305244  0.38562728  0.73538576  1
  N  N94  1  0.25188237  0.54801935  0.54596691  1
  N  N95  1  0.74810042  0.45197323  0.45402109  1
  N  N96  1  0.16625273  0.47985652  0.62350838  1
  N  N97  1  0.83376684  0.52013670  0.37647608  1
  O  O98  1  0.99704210  0.19239651  0.98158687  1
  O  O99  1  0.00295927  0.80759813  0.01841274  1
  O  O100  1  0.11578770  0.26801401  0.80521227  1
  O  O101  1  0.88421128  0.73198350  0.19478823  1
  O  O102  1  0.45181296  0.30142006  0.54010293  1
  O  O103  1  0.54817277  0.69858188  0.45993599  1
  O  O104  1  0.65088609  0.17926522  0.66258355  1
  O  O105  1  0.34913345  0.82071908  0.33741490  1
