# generated using pymatgen
data_VH22C14N2Cl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34843950
_cell_length_b   9.34484725
_cell_length_c   13.03227796
_cell_angle_alpha   110.02546314
_cell_angle_beta   90.00032316
_cell_angle_gamma   89.99988405
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VH22C14N2Cl2O
_chemical_formula_sum   'V2 H44 C28 N4 Cl4 O2'
_cell_volume   840.82029008
_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
  V  V0  1  0.64501764  0.46496132  0.74839421  1
  V  V1  1  0.14501527  0.53503887  0.25160562  1
  H  H2  1  0.17579186  0.65380375  0.59464606  1
  H  H3  1  0.67579366  0.34619839  0.40535566  1
  H  H4  1  0.88248390  0.51835768  0.58652516  1
  H  H5  1  0.38248023  0.48163605  0.41347353  1
  H  H6  1  0.94963734  0.51636872  0.90527203  1
  H  H7  1  0.44963630  0.48363443  0.09472918  1
  H  H8  1  0.25495122  0.63840239  0.92061976  1
  H  H9  1  0.75495170  0.36160348  0.07938375  1
  H  H10  1  0.13807384  0.90525663  0.74896232  1
  H  H11  1  0.63807233  0.09474220  0.25103673  1
  H  H12  1  0.27397619  0.04165221  0.71616153  1
  H  H13  1  0.77397705  0.95834713  0.28383751  1
  H  H14  1  0.36684889  0.15599207  0.91179071  1
  H  H15  1  0.86684935  0.84400836  0.08820946  1
  H  H16  1  0.30793608  0.93825004  0.97538433  1
  H  H17  1  0.80793660  0.06175086  0.02461587  1
  H  H18  1  0.07174823  0.94936632  0.95286460  1
  H  H19  1  0.57174850  0.05063381  0.04713328  1
  H  H20  1  0.18397281  0.10205866  0.05415934  1
  H  H21  1  0.68397381  0.89794186  0.94583939  1
  H  H22  1  0.08071137  0.29667549  0.97095084  1
  H  H23  1  0.58071416  0.70332440  0.02904500  1
  H  H24  1  0.95643644  0.15466016  0.86851386  1
  H  H25  1  0.45643667  0.84533795  0.13148123  1
  H  H26  1  0.12361999  0.26523968  0.83043514  1
  H  H27  1  0.62362034  0.73475845  0.16956102  1
  H  H28  1  0.70554927  0.87868495  0.75985622  1
  H  H29  1  0.20554813  0.12131389  0.24014400  1
  H  H30  1  0.60325762  0.06264653  0.80142116  1
  H  H31  1  0.10325534  0.93735278  0.19857956  1
  H  H32  1  0.51825372  0.03397198  0.61633536  1
  H  H33  1  0.01825528  0.96602818  0.38366524  1
  H  H34  1  0.82263218  0.02763328  0.53770944  1
  H  H35  1  0.32263660  0.97236825  0.46229090  1
  H  H36  1  0.91510193  0.93554061  0.62468896  1
  H  H37  1  0.41510224  0.06446023  0.37531061  1
  H  H38  1  0.82885724  0.12526875  0.68129291  1
  H  H39  1  0.32885812  0.87473187  0.31870750  1
  H  H40  1  0.60985188  0.80438473  0.45744077  1
  H  H41  1  0.10985416  0.19561529  0.54255969  1
  H  H42  1  0.44465223  0.76071207  0.54250633  1
  H  H43  1  0.94465265  0.23928760  0.45749404  1
  H  H44  1  0.67651713  0.71050098  0.54925605  1
  H  H45  1  0.17651701  0.28949937  0.45074463  1
  C  C46  1  0.23648559  0.66273624  0.76072206  1
  C  C47  1  0.73648518  0.33726560  0.23927971  1
  C  C48  1  0.13073457  0.62699173  0.66555721  1
  C  C49  1  0.63073438  0.37300851  0.33444385  1
  C  C50  1  0.96798728  0.54896114  0.65918433  1
  C  C51  1  0.46798498  0.45103647  0.34081561  1
  C  C52  1  0.00677175  0.54610729  0.83816600  1
  C  C53  1  0.50677016  0.45389516  0.16183525  1
  C  C54  1  0.17534291  0.61627959  0.84644473  1
  C  C55  1  0.67534237  0.38372385  0.15355736  1
  C  C56  1  0.41302986  0.74309854  0.77004364  1
  C  C57  1  0.91302886  0.25690212  0.22995788  1
  C  C58  1  0.25931651  0.97833158  0.77276904  1
  C  C59  1  0.75931585  0.02166825  0.22723038  1
  C  C60  1  0.23719068  0.09351464  0.88939610  1
  C  C61  1  0.73719102  0.90648562  0.11060306  1
  C  C62  1  0.19802787  0.01620680  0.97255546  1
  C  C63  1  0.69802853  0.98379378  0.02744353  1
  C  C64  1  0.09052447  0.20905571  0.88957819  1
  C  C65  1  0.59052533  0.79094333  0.11041820  1
  C  C66  1  0.59552580  0.94607039  0.74226948  1
  C  C67  1  0.09552478  0.05392914  0.25773090  1
  C  C68  1  0.61878282  0.95248470  0.62673429  1
  C  C69  1  0.11878364  0.04751555  0.37326632  1
  C  C70  1  0.80807929  0.01386725  0.61757806  1
  C  C71  1  0.30808080  0.98613349  0.38242217  1
  C  C72  1  0.58543041  0.79793522  0.53888930  1
  C  C73  1  0.08543120  0.20206479  0.46111115  1
  N  N74  1  0.90606471  0.51116268  0.74513581  1
  N  N75  1  0.40606226  0.48883626  0.25486440  1
  N  N76  1  0.42028474  0.87980320  0.75823941  1
  N  N77  1  0.92028359  0.12019710  0.24176096  1
  Cl  Cl78  1  0.53680131  0.31874670  0.57860446  1
  Cl  Cl79  1  0.03680262  0.68125256  0.42139580  1
  Cl  Cl80  1  0.58544315  0.36503304  0.88435626  1
  Cl  Cl81  1  0.08544320  0.63496664  0.11564283  1
  O  O82  1  0.56055254  0.68443936  0.79201685  1
  O  O83  1  0.06055201  0.31556058  0.20798429  1
