# generated using pymatgen
data_VCoH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40540187
_cell_length_b   9.52305232
_cell_length_c   9.52630086
_cell_angle_alpha   81.78394154
_cell_angle_beta   75.39972263
_cell_angle_gamma   75.79564621
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCoH20C28(N3O2)4
_chemical_formula_sum   'V1 Co1 H20 C28 N12 O8'
_cell_volume   797.46218348
_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  0.73986401  0.95306359  0.71018932  1
  V  V1  1  0.23951631  0.71399905  0.94984154  1
  H  H2  1  0.39035150  0.01416180  0.60997656  1
  H  H3  1  0.88937593  0.61231564  0.02514395  1
  H  H4  1  0.59821842  0.49007566  0.77750423  1
  H  H5  1  0.10432867  0.77338184  0.48386408  1
  H  H6  1  0.87160155  0.87709984  0.17654270  1
  H  H7  1  0.36919807  0.17899439  0.88235127  1
  H  H8  1  0.07704419  0.30886963  0.24848068  1
  H  H9  1  0.57958435  0.24385000  0.29662535  1
  H  H10  1  0.58960943  0.92509569  0.08319065  1
  H  H11  1  0.08551837  0.08867322  0.92457921  1
  H  H12  1  0.96111131  0.11281452  0.41004332  1
  H  H13  1  0.46730173  0.40885548  0.10100740  1
  H  H14  1  0.78860066  0.63079812  0.53571689  1
  H  H15  1  0.29416264  0.53134435  0.62118558  1
  H  H16  1  0.21190583  0.03108538  0.44949761  1
  H  H17  1  0.70912912  0.45507387  0.03331908  1
  H  H18  1  0.31048827  0.98492477  0.18634503  1
  H  H19  1  0.80670968  0.19267049  0.98245301  1
  H  H20  1  0.98592521  0.56767783  0.30772217  1
  H  H21  1  0.48945551  0.30260454  0.55564510  1
  C  C22  1  0.43058353  0.99392845  0.49586019  1
  C  C23  1  0.92864865  0.49872129  0.00272949  1
  C  C24  1  0.44273961  0.90127082  0.86658187  1
  C  C25  1  0.94504365  0.86620416  0.90174878  1
  C  C26  1  0.54487819  0.75044811  0.83488709  1
  C  C27  1  0.04481143  0.82272696  0.75244005  1
  C  C28  1  0.98908335  0.33648486  0.34615173  1
  C  C29  1  0.49343200  0.34224218  0.32460436  1
  C  C30  1  0.54346947  0.94323065  0.19736636  1
  C  C31  1  0.03956913  0.20193551  0.94540509  1
  C  C32  1  0.82041567  0.26274087  0.56213837  1
  C  C33  1  0.32777605  0.55951498  0.25383325  1
  C  C34  1  0.92931324  0.22565085  0.43568077  1
  C  C35  1  0.43543499  0.43327954  0.21442615  1
  C  C36  1  0.82831013  0.51947209  0.50608820  1
  C  C37  1  0.33467205  0.50189861  0.50969063  1
  C  C38  1  0.77107135  0.40740047  0.59557080  1
  C  C39  1  0.27843860  0.59258443  0.39873671  1
  C  C40  1  0.63972452  0.93206002  0.29068989  1
  C  C41  1  0.13706796  0.29316613  0.93855885  1
  C  C42  1  0.33308749  0.00359140  0.40440608  1
  C  C43  1  0.83011148  0.40921795  0.00749681  1
  C  C44  1  0.38849337  0.97836482  0.25604846  1
  C  C45  1  0.88475435  0.26172072  0.97938956  1
  C  C46  1  0.93840537  0.48236441  0.37997834  1
  C  C47  1  0.44304263  0.37559840  0.47084023  1
  C  C48  1  0.58550206  0.95724146  0.43742821  1
  C  C49  1  0.08311538  0.43832869  0.96836646  1
  N  N50  1  0.83441268  0.91263639  0.39448072  1
  N  N51  1  0.33279572  0.39402724  0.92451013  1
  N  N52  1  0.64583897  0.26607291  0.76737621  1
  N  N53  1  0.15371504  0.76564758  0.26044622  1
  N  N54  1  0.71131311  0.94257792  0.49627285  1
  N  N55  1  0.20911921  0.49607740  0.95702594  1
  N  N56  1  0.66507423  0.40133868  0.72345149  1
  N  N57  1  0.17358225  0.72146342  0.39419332  1
  N  N58  1  0.73963109  0.18029339  0.67254662  1
  N  N59  1  0.24719501  0.66996890  0.17296588  1
  N  N60  1  0.79299901  0.90383828  0.27215403  1
  N  N61  1  0.29093564  0.27391408  0.91184218  1
  O  O62  1  0.47724577  0.64406565  0.87321696  1
  O  O63  1  0.98585583  0.85970628  0.64370146  1
  O  O64  1  0.50058604  0.01082358  0.82572341  1
  O  O65  1  1.00785264  0.82122682  0.00979554  1
  O  O66  1  0.30549752  0.90459280  0.93090475  1
  O  O67  1  0.81359367  0.94004153  0.90778480  1
  O  O68  1  0.68062489  0.74263057  0.77289995  1
  O  O69  1  0.17877708  0.75159588  0.75170170  1
