# generated using pymatgen
data_VNiH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86615682
_cell_length_b   11.62620846
_cell_length_c   12.29425249
_cell_angle_alpha   118.36563589
_cell_angle_beta   100.15810192
_cell_angle_gamma   89.91529281
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNiH28C32(NO3)4
_chemical_formula_sum   'V1 Ni1 H28 C32 N4 O12'
_cell_volume   969.44057278
_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  0.99999941  0.99999921  0.49999865  1
  V  V1  1  0.50000171  0.50000074  0.50000152  1
  H  H2  1  0.84159484  0.90746997  0.61999434  1
  H  H3  1  0.66386861  0.28592353  0.38136204  1
  H  H4  1  0.15840454  0.09252895  0.38000364  1
  H  H5  1  0.33613459  0.71407780  0.61863978  1
  H  H6  1  0.02609534  0.84847318  0.61471987  1
  H  H7  1  0.47624978  0.23051316  0.38550637  1
  H  H8  1  0.97390495  0.15152641  0.38527884  1
  H  H9  1  0.52375309  0.76948754  0.61449501  1
  H  H10  1  0.76800330  0.94288548  0.25699975  1
  H  H11  1  0.73151745  0.68927940  0.74741958  1
  H  H12  1  0.23199480  0.05711418  0.74299812  1
  H  H13  1  0.26848429  0.31072241  0.25258640  1
  H  H14  1  0.57867719  0.75523303  0.07935761  1
  H  H15  1  0.91916402  0.67743077  0.92422422  1
  H  H16  1  0.42132294  0.24476683  0.92063852  1
  H  H17  1  0.08083377  0.32256896  0.07578233  1
  H  H18  1  0.79592122  0.51316965  0.24066895  1
  H  H19  1  0.70920295  0.27157359  0.75748905  1
  H  H20  1  0.20407290  0.48682930  0.75932762  1
  H  H21  1  0.29079748  0.72842450  0.24251016  1
  H  H22  1  0.98724039  0.70796510  0.40469175  1
  H  H23  1  0.51409647  0.30260846  0.59515186  1
  H  H24  1  0.01275363  0.29203378  0.59530621  1
  H  H25  1  0.48590678  0.69739210  0.40484777  1
  H  H26  1  0.57291779  0.41183749  0.05532695  1
  H  H27  1  0.93004863  0.35505929  0.94229052  1
  H  H28  1  0.42707894  0.58816210  0.94466940  1
  H  H29  1  0.06994998  0.64493858  0.05771177  1
  C  C30  1  0.77018948  0.84589904  0.24960615  1
  C  C31  1  0.72929381  0.59882467  0.75366761  1
  C  C32  1  0.22980785  0.15410052  0.75039162  1
  C  C33  1  0.27070754  0.40117617  0.24633689  1
  C  C34  1  0.66380438  0.74039486  0.15094886  1
  C  C35  1  0.83504281  0.59085505  0.85143461  1
  C  C36  1  0.33619372  0.25960485  0.84904795  1
  C  C37  1  0.16495668  0.40914456  0.14856988  1
  C  C38  1  0.66811853  0.61640862  0.14583400  1
  C  C39  1  0.83255310  0.47090414  0.85465991  1
  C  C40  1  0.33187812  0.38359099  0.85416264  1
  C  C41  1  0.16744641  0.52909458  0.14534254  1
  C  C42  1  0.78662227  0.60688927  0.24087457  1
  C  C43  1  0.71561227  0.36589761  0.75865626  1
  C  C44  1  0.21337285  0.39310987  0.75912239  1
  C  C45  1  0.28438858  0.63410127  0.24134451  1
  C  C46  1  0.89125171  0.71647991  0.33390370  1
  C  C47  1  0.60945241  0.38241730  0.66642100  1
  C  C48  1  0.10874333  0.28351884  0.66609386  1
  C  C49  1  0.39055022  0.61758301  0.33358003  1
  C  C50  1  0.62256241  0.03613319  0.50282693  1
  C  C51  1  0.87819323  0.53375383  0.49708795  1
  C  C52  1  0.37743612  0.96386794  0.49717343  1
  C  C53  1  0.12180993  0.46624733  0.50291463  1
  C  C54  1  0.55558160  0.94457622  0.54024735  1
  C  C55  1  0.94372847  0.40433088  0.45876901  1
  C  C56  1  0.44441725  0.05542531  0.45975347  1
  C  C57  1  0.05627453  0.59567012  0.54123345  1
  C  C58  1  0.55911018  0.50177528  0.04856440  1
  C  C59  1  0.94187570  0.45275905  0.95089200  1
  C  C60  1  0.44088633  0.49822415  0.95143174  1
  C  C61  1  0.05812295  0.54723898  0.04911049  1
  N  N62  1  0.88021863  0.83586194  0.34194186  1
  N  N63  1  0.61945369  0.49522950  0.65917605  1
  N  N64  1  0.11977748  0.16413702  0.65805608  1
  N  N65  1  0.38054950  0.50477157  0.34082669  1
  O  O66  1  0.96530787  0.92494738  0.61908538  1
  O  O67  1  0.53898912  0.30513940  0.38500943  1
  O  O68  1  0.03469138  0.07505127  0.38091200  1
  O  O69  1  0.46101437  0.69486204  0.61499337  1
  O  O70  1  0.76817935  0.09037409  0.51558528  1
  O  O71  1  0.73005951  0.57556979  0.48938561  1
  O  O72  1  0.23181956  0.90962510  0.48441266  1
  O  O73  1  0.26994374  0.42443166  0.51061745  1
  O  O74  1  0.62606435  0.88823605  0.60040813  1
  O  O75  1  0.87223480  0.28774461  0.39894183  1
  O  O76  1  0.37393500  0.11176496  0.39959195  1
  O  O77  1  0.12776808  0.71225642  0.60105727  1
