# generated using pymatgen
data_VNi2H36C36S4(NO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.49938172
_cell_length_b   11.10464462
_cell_length_c   11.34698468
_cell_angle_alpha   90.94256398
_cell_angle_beta   111.13592470
_cell_angle_gamma   89.48512340
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi2H36C36S4(NO8)2
_chemical_formula_sum   'V1 Ni2 H36 C36 S4 N2 O16'
_cell_volume   998.77166224
_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  0.82133653  0.83613633  0.92609609  1
  Ni  Ni1  1  0.17865766  0.16387094  0.07390388  1
  V  V2  1  0.49999622  0.00000484  0.00000073  1
  H  H3  1  0.91970702  0.00936090  0.83340077  1
  H  H4  1  0.08027693  0.99064631  0.16659036  1
  H  H5  1  0.79921042  0.93297986  0.71728989  1
  H  H6  1  0.20078184  0.06701976  0.28270344  1
  H  H7  1  0.67260618  0.52794292  0.07193704  1
  H  H8  1  0.32743381  0.47207195  0.92807205  1
  H  H9  1  0.58658524  0.35791508  0.17420708  1
  H  H10  1  0.41345160  0.64208819  0.82578571  1
  H  H11  1  0.48748043  0.39766998  0.35326097  1
  H  H12  1  0.51252518  0.60231612  0.64671659  1
  H  H13  1  0.47979032  0.60916314  0.43084090  1
  H  H14  1  0.52022234  0.39081880  0.56916031  1
  H  H15  1  0.10788788  0.87111906  0.70466630  1
  H  H16  1  0.89210542  0.12888287  0.29533638  1
  H  H17  1  0.87962218  0.86216369  0.49410802  1
  H  H18  1  0.12037390  0.13783409  0.50589358  1
  H  H19  1  0.94892780  0.83315674  0.30018921  1
  H  H20  1  0.05107172  0.16683530  0.69981420  1
  H  H21  1  0.24930193  0.81437837  0.31857276  1
  H  H22  1  0.75069841  0.18561069  0.68143423  1
  H  H23  1  0.76479630  0.19093872  0.01119424  1
  H  H24  1  0.23518560  0.80907441  0.98879406  1
  H  H25  1  0.90835663  0.71105290  0.70576938  1
  H  H26  1  0.09165074  0.28894175  0.29422578  1
  H  H27  1  0.93600901  0.58094308  0.57251041  1
  H  H28  1  0.06397595  0.41904363  0.42748619  1
  H  H29  1  0.83255637  0.44058310  0.56836812  1
  H  H30  1  0.16743072  0.55940564  0.43163959  1
  H  H31  1  0.05622230  0.44957482  0.63980746  1
  H  H32  1  0.94376569  0.55041429  0.36019309  1
  H  H33  1  0.80823014  0.43201613  0.85080773  1
  H  H34  1  0.19177521  0.56799387  0.14920975  1
  H  H35  1  0.03151083  0.44165697  0.92013502  1
  H  H36  1  0.96849505  0.55834197  0.07986779  1
  H  H37  1  0.93809258  0.34822226  0.78431274  1
  H  H38  1  0.06189087  0.65177613  0.21569425  1
  C  C39  1  0.56477446  0.68666122  0.29146803  1
  C  C40  1  0.43523440  0.31333422  0.70853750  1
  C  C41  1  0.61590437  0.66497868  0.18691709  1
  C  C42  1  0.38410863  0.33502568  0.81308863  1
  C  C43  1  0.62793936  0.54522427  0.14949630  1
  C  C44  1  0.37208999  0.45478298  0.85050873  1
  C  C45  1  0.58129404  0.44967754  0.20798253  1
  C  C46  1  0.41873333  0.55032361  0.79201309  1
  C  C47  1  0.52660312  0.47206670  0.30864253  1
  C  C48  1  0.47341083  0.52792554  0.69134785  1
  C  C49  1  0.52064293  0.59009537  0.35156814  1
  C  C50  1  0.47936815  0.40989376  0.64843074  1
  C  C51  1  0.65479218  0.76310461  0.11376103  1
  C  C52  1  0.34521089  0.23690389  0.88624425  1
  C  C53  1  0.34747534  0.83147200  0.52218924  1
  C  C54  1  0.65252228  0.16852259  0.47781744  1
  C  C55  1  0.31058695  0.84591903  0.63360842  1
  C  C56  1  0.68940748  0.15408182  0.36639651  1
  C  C57  1  0.13987666  0.85710269  0.62055508  1
  C  C58  1  0.86011755  0.14289696  0.37944830  1
  C  C59  1  0.01083569  0.85180250  0.50207697  1
  C  C60  1  0.98916068  0.14819486  0.49792576  1
  C  C61  1  0.04940650  0.83627417  0.39315055  1
  C  C62  1  0.95059203  0.16371989  0.60685351  1
  C  C63  1  0.21766665  0.82568344  0.40318190  1
  C  C64  1  0.78233243  0.17430848  0.59682415  1
  C  C65  1  0.44261067  0.85112207  0.76357184  1
  C  C66  1  0.55738092  0.14888875  0.23643301  1
  C  C67  1  0.81154757  0.11159472  0.97419708  1
  C  C68  1  0.18844234  0.88841602  0.02580095  1
  C  C69  1  0.91136797  0.64435036  0.77767911  1
  C  C70  1  0.08863120  0.35564907  0.22231843  1
  C  C71  1  0.93783432  0.49851694  0.62463730  1
  C  C72  1  0.06215476  0.50147294  0.37536480  1
  C  C73  1  0.92501373  0.43287839  0.83026481  1
  C  C74  1  0.07498429  0.56712324  0.16974270  1
  S  S75  1  0.55816503  0.83285564  0.34965179  1
  S  S76  1  0.44183737  0.16713725  0.65035560  1
  S  S77  1  0.55744699  0.82248518  0.53183508  1
  S  S78  1  0.44255045  0.17750443  0.46817266  1
  N  N79  1  0.92352298  0.52980553  0.74528399  1
  N  N80  1  0.07647279  0.47019170  0.25471864  1
  O  O81  1  0.74807673  0.74000868  0.05110303  1
  O  O82  1  0.25192566  0.26000402  0.94890014  1
  O  O83  1  0.58879710  0.86728772  0.11944121  1
  O  O84  1  0.41119901  0.13271802  0.88056359  1
  O  O85  1  0.59247713  0.81956394  0.78032051  1
  O  O86  1  0.40751675  0.18045406  0.21968466  1
  O  O87  1  0.39158335  0.88402621  0.85377200  1
  O  O88  1  0.60840494  0.11598382  0.14623115  1
  O  O89  1  0.73403353  0.01067756  0.96817277  1
  O  O90  1  0.26596061  0.98933219  0.03183068  1
  O  O91  1  0.93695628  0.12333364  0.94006221  1
  O  O92  1  0.06303740  0.87667448  0.05993969  1
  O  O93  1  0.90386242  0.67571716  0.88295805  1
  O  O94  1  0.09613161  0.32428973  0.11703578  1
  O  O95  1  0.90062102  0.92690260  0.79345209  1
  O  O96  1  0.09936794  0.07310283  0.20654477  1
