# generated using pymatgen
data_Mn2VNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11807341
_cell_length_b   10.13497396
_cell_length_c   12.55922516
_cell_angle_alpha   90.03844768
_cell_angle_beta   89.98482158
_cell_angle_gamma   106.44449992
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VNiH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Ni1 H28 C28 N32'
_cell_volume   991.05946366
_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
  Mn  Mn0  1  0.16385683  0.13528773  0.55621910  1
  Ni  Ni1  1  0.34635461  0.87155381  0.04784581  1
  V  V2  1  0.84431784  0.87161943  0.44241223  1
  Mn  Mn3  1  0.65709642  0.13127637  0.94822365  1
  H  H4  1  0.11438173  0.44931272  0.57901318  1
  H  H5  1  0.38539286  0.55080281  0.08016904  1
  H  H6  1  0.88628162  0.54948844  0.41861699  1
  H  H7  1  0.61391210  0.44939235  0.92135793  1
  H  H8  1  0.18688408  0.65014725  0.45910585  1
  H  H9  1  0.31164277  0.35128054  0.96120576  1
  H  H10  1  0.81200448  0.35009415  0.53891314  1
  H  H11  1  0.68796871  0.65038331  0.04109337  1
  H  H12  1  0.38757620  0.65470826  0.30281889  1
  H  H13  1  0.11172061  0.34680265  0.80420000  1
  H  H14  1  0.61258966  0.34750677  0.69583149  1
  H  H15  1  0.89071284  0.65571360  0.19600603  1
  H  H16  1  0.50364633  0.45145746  0.27777219  1
  H  H17  1  0.99763507  0.55101418  0.77884751  1
  H  H18  1  0.49880598  0.55151972  0.72069363  1
  H  H19  1  0.00516283  0.45166351  0.22141148  1
  H  H20  1  0.52694864  0.23250925  0.34261198  1
  H  H21  1  0.97297640  0.76875241  0.84475426  1
  H  H22  1  0.47682087  0.77313292  0.65373744  1
  H  H23  1  0.02837324  0.23287943  0.15592872  1
  H  H24  1  0.50284067  0.00562801  0.37581805  1
  H  H25  1  0.99949121  0.99492136  0.87799587  1
  H  H26  1  0.50039957  0.99407552  0.62121179  1
  H  H27  1  0.00243996  0.00505911  0.12339685  1
  H  H28  1  0.33424701  0.90378695  0.45565748  1
  H  H29  1  0.16908987  0.09732291  0.95826880  1
  H  H30  1  0.66895970  0.09830692  0.54221000  1
  H  H31  1  0.83349887  0.90350085  0.04312900  1
  C  C32  1  0.19478559  0.44962407  0.50934859  1
  C  C33  1  0.30445857  0.55251826  0.01110742  1
  C  C34  1  0.80689486  0.55103162  0.48856994  1
  C  C35  1  0.69462630  0.44946934  0.99078693  1
  C  C36  1  0.23904200  0.56430945  0.44263733  1
  C  C37  1  0.26016294  0.43740750  0.94442059  1
  C  C38  1  0.76117292  0.43666626  0.55541982  1
  C  C39  1  0.73990654  0.56439114  0.05734746  1
  C  C40  1  0.35067104  0.56721987  0.35687834  1
  C  C41  1  0.14917102  0.43434737  0.85832553  1
  C  C42  1  0.65022245  0.43479736  0.64159027  1
  C  C43  1  0.85220167  0.56749205  0.14276712  1
  C  C44  1  0.41581460  0.45625957  0.34228661  1
  C  C45  1  0.08445374  0.54540390  0.84374079  1
  C  C46  1  0.58644900  0.54641299  0.65615334  1
  C  C47  1  0.91698745  0.45640170  0.15711337  1
  C  C48  1  0.36253116  0.34251376  0.41123602  1
  C  C49  1  0.13698159  0.65882976  0.91343250  1
  C  C50  1  0.64075103  0.66011747  0.58700039  1
  C  C51  1  0.86302359  0.34252172  0.08818586  1
  C  C52  1  0.42472850  0.22407517  0.40153697  1
  C  C53  1  0.07529750  0.77777311  0.90330885  1
  C  C54  1  0.57935825  0.77845257  0.59565385  1
  C  C55  1  0.92521748  0.22404522  0.09759518  1
  C  C56  1  0.43743684  0.00049531  0.45314784  1
  C  C57  1  0.06564162  1.00107525  0.95517338  1
  C  C58  1  0.56599186  1.00137558  0.54377702  1
  C  C59  1  0.93697712  -0.00001364  0.04614012  1
  N  N60  1  0.24728019  0.33653502  0.49207155  1
  N  N61  1  0.25025823  0.66474039  0.99508135  1
  N  N62  1  0.75560439  0.66490678  0.50554219  1
  N  N63  1  0.74722956  0.33631331  0.00759232  1
  N  N64  1  0.36020622  0.11515405  0.45953741  1
  N  N65  1  0.14276144  0.88651277  0.96008819  1
  N  N66  1  0.64404092  0.88714028  0.53627825  1
  N  N67  1  0.85962832  0.11465865  0.04022998  1
  N  N68  1  0.01740115  0.90746414  0.56900682  1
  N  N69  1  0.46694003  0.07884368  0.07629240  1
  N  N70  1  0.95943495  0.07737692  0.42484617  1
  N  N71  1  0.52971010  0.91610013  0.92520194  1
  N  N72  1  0.08048542  0.82403074  0.60926035  1
  N  N73  1  0.40359761  0.16261347  0.11512685  1
  N  N74  1  0.90107959  0.16320042  0.38379734  1
  N  N75  1  0.58750991  0.82829920  0.88794002  1
  N  N76  1  0.14983114  0.75031164  0.64789714  1
  N  N77  1  0.34618859  0.24807413  0.14746084  1
  N  N78  1  0.84959948  0.25044619  0.34997412  1
  N  N79  1  0.65060797  0.74749718  0.85327800  1
  N  N80  1  0.96841583  0.19862886  0.64949749  1
  N  N81  1  0.54135078  0.80176788  0.15490601  1
  N  N82  1  0.02044554  0.80332526  0.35205315  1
  N  N83  1  0.47061182  0.19848446  0.85059144  1
  N  N84  1  0.87716241  0.15830288  0.72385861  1
  N  N85  1  0.62914963  0.84140202  0.22938985  1
  N  N86  1  0.11583466  0.84224830  0.27813802  1
  N  N87  1  0.37806746  0.15801852  0.77699062  1
  N  N88  1  0.77961846  0.11532160  0.79379810  1
  N  N89  1  0.71894573  0.87196129  0.30558311  1
  N  N90  1  0.21640179  0.87977278  0.21010217  1
  N  N91  1  0.27962085  0.11464891  0.70744205  1
