# generated using pymatgen
data_VH20C22S2(N3O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21602366
_cell_length_b   8.89832770
_cell_length_c   10.01257300
_cell_angle_alpha   109.26800000
_cell_angle_beta   103.26661774
_cell_angle_gamma   97.58424776
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VH20C22S2(N3O)2
_chemical_formula_sum   'V1 H20 C22 S2 N6 O2'
_cell_volume   575.41124688
_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  0.50000486  0.50000002  0.49999947  1
  H  H1  1  0.22576177  0.65019465  0.40578610  1
  H  H2  1  0.77424579  0.34980431  0.59421737  1
  H  H3  1  0.40721521  0.72934749  0.36081598  1
  H  H4  1  0.59278818  0.27065048  0.63918233  1
  H  H5  1  0.23751627  0.17948878  0.43969361  1
  H  H6  1  0.76249028  0.82051274  0.56030551  1
  H  H7  1  0.01747477  0.94851726  0.21966083  1
  H  H8  1  0.98251909  0.05149046  0.78033959  1
  H  H9  1  0.14398757  0.22453068  0.95269515  1
  H  H10  1  0.85601379  0.77547479  0.04730536  1
  H  H11  1  0.36388467  0.44100718  0.18257730  1
  H  H12  1  0.63612575  0.55899351  0.81742178  1
  H  H13  1  0.64057617  0.01528400  0.41856353  1
  H  H14  1  0.35941803  0.98471397  0.58143477  1
  H  H15  1  0.68281671  0.15780754  0.25061421  1
  H  H16  1  0.31717669  0.84218853  0.74938366  1
  H  H17  1  0.28956074  0.73403113  0.89050229  1
  H  H18  1  0.71043008  0.26596546  0.10949633  1
  H  H19  1  0.25477685  0.61276371  0.07335004  1
  H  H20  1  0.74521521  0.38723306  0.92664906  1
  C  C21  1  0.21082902  0.18348665  0.32953034  1
  C  C22  1  0.78917604  0.81651598  0.67046918  1
  C  C23  1  0.08864139  0.05585153  0.20609372  1
  C  C24  1  0.91135809  0.94415396  0.79390649  1
  C  C25  1  0.06213563  0.06639935  0.06619757  1
  C  C26  1  0.93786427  0.93360608  0.93380252  1
  C  C27  1  0.15959673  0.20876609  0.05765654  1
  C  C28  1  0.84040556  0.79123841  0.94234362  1
  C  C29  1  0.28157752  0.33102886  0.18528238  1
  C  C30  1  0.71843030  0.66897309  0.81471717  1
  C  C31  1  0.78835534  0.56074012  0.32435729  1
  C  C32  1  0.21165210  0.43926293  0.67564394  1
  C  C33  1  0.56536577  0.95648732  0.30038843  1
  C  C34  1  0.43462875  0.04350941  0.69960972  1
  C  C35  1  0.58954001  0.03520140  0.20447850  1
  C  C36  1  0.41045360  0.96479490  0.79551955  1
  C  C37  1  0.49035561  0.95950552  0.05258506  1
  C  C38  1  0.50963717  0.04049038  0.94741304  1
  C  C39  1  0.37117765  0.80284001  0.00617462  1
  C  C40  1  0.62881444  0.19715600  0.99382387  1
  C  C41  1  0.35180882  0.73241068  0.10862716  1
  C  C42  1  0.64818449  0.26758547  0.89137136  1
  S  S43  1  0.92877491  0.61982898  0.23928467  1
  S  S44  1  0.07122897  0.38017603  0.76071798  1
  N  N45  1  0.68352546  0.51984763  0.38860161  1
  N  N46  1  0.31647929  0.48015243  0.61140076  1
  N  N47  1  0.30864723  0.31837083  0.31938289  1
  N  N48  1  0.69136241  0.68162960  0.68061660  1
  N  N49  1  0.44631549  0.80761627  0.25419216  1
  N  N50  1  0.55368043  0.19237989  0.74580591  1
  O  O51  1  0.37000770  0.67539469  0.43440111  1
  O  O52  1  0.62999987  0.32460439  0.56559969  1
