# generated using pymatgen
data_Mn2VNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11813146
_cell_length_b   10.13590957
_cell_length_c   12.55822513
_cell_angle_alpha   90.02614071
_cell_angle_beta   89.98884494
_cell_angle_gamma   106.45655261
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VNiH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Ni1 H28 C28 N32'
_cell_volume   991.01768390
_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  0.15211531  0.12462024  0.53796866  1
  Mn  Mn1  1  0.33779978  0.86613488  0.05519341  1
  Mn  Mn2  1  0.84168594  0.86710037  0.44893869  1
  V  V3  1  0.65740577  0.12724273  0.94546944  1
  H  H4  1  0.11214339  0.44607825  0.58103529  1
  H  H5  1  0.38380262  0.54980299  0.08056893  1
  H  H6  1  0.88491958  0.55088598  0.41889128  1
  H  H7  1  0.61119242  0.45022037  0.91899634  1
  H  H8  1  0.18519462  0.64580650  0.46251223  1
  H  H9  1  0.31136028  0.34956374  0.96040175  1
  H  H10  1  0.81164898  0.35037614  0.53895591  1
  H  H11  1  0.68556538  0.64886660  0.03935520  1
  H  H12  1  0.38645769  0.65220970  0.30611521  1
  H  H13  1  0.11255978  0.34528205  0.80351466  1
  H  H14  1  0.60996800  0.34518466  0.69419622  1
  H  H15  1  0.88790887  0.65305940  0.19471869  1
  H  H16  1  0.50085519  0.44833735  0.27941491  1
  H  H17  1  0.99884916  0.54996363  0.77729269  1
  H  H18  1  0.49831013  0.55039841  0.72149861  1
  H  H19  1  0.00011396  0.44807839  0.22051450  1
  H  H20  1  0.53031654  0.23209289  0.34742159  1
  H  H21  1  0.97420133  0.76797300  0.84407206  1
  H  H22  1  0.47057919  0.76765364  0.65290179  1
  H  H23  1  0.02436121  0.22908039  0.15341697  1
  H  H24  1  0.49780480  0.00185799  0.37736685  1
  H  H25  1  1.00207713  0.99743958  0.87657376  1
  H  H26  1  0.50169797  0.99865100  0.62219355  1
  H  H27  1  -0.00318440  0.00190280  0.12186809  1
  H  H28  1  0.32979149  0.90080311  0.46016222  1
  H  H29  1  0.16935227  0.09696751  0.95924701  1
  H  H30  1  0.66925438  0.09827991  0.53971336  1
  H  H31  1  0.82987273  0.90027340  0.03958905  1
  C  C32  1  0.19193748  0.44428944  0.51141098  1
  C  C33  1  0.30526567  0.55038460  0.01019687  1
  C  C34  1  0.80638710  0.55156323  0.48926938  1
  C  C35  1  0.69101720  0.44826574  0.98870670  1
  C  C36  1  0.23710750  0.55994999  0.44545075  1
  C  C37  1  0.26071248  0.43592039  0.94317493  1
  C  C38  1  0.76095407  0.43688645  0.55585842  1
  C  C39  1  0.73687427  0.56254912  0.05566245  1
  C  C40  1  0.34853474  0.56385754  0.35935281  1
  C  C41  1  0.15018468  0.43354586  0.85687800  1
  C  C42  1  0.64956403  0.43418417  0.64178545  1
  C  C43  1  0.84861876  0.56477558  0.14151753  1
  C  C44  1  0.41369852  0.45314230  0.34432475  1
  C  C45  1  0.08642372  0.54509243  0.84191473  1
  C  C46  1  0.58568830  0.54566531  0.65670362  1
  C  C47  1  0.91218339  0.45318061  0.15616628  1
  C  C48  1  0.36069996  0.33918683  0.41334966  1
  C  C49  1  0.13994890  0.65854256  0.91127307  1
  C  C50  1  0.63950722  0.65942495  0.58774825  1
  C  C51  1  0.85790439  0.33942373  0.08698410  1
  C  C52  1  0.42455734  0.22124283  0.40364127  1
  C  C53  1  0.07757244  0.77688686  0.90215725  1
  C  C54  1  0.57621895  0.77735552  0.59633066  1
  C  C55  1  0.92054047  0.22160288  0.09598273  1
  C  C56  1  0.43346635  -0.00321331  0.45503018  1
  C  C57  1  0.06524542  1.00091531  0.95448561  1
  C  C58  1  0.56542881  1.00204598  0.54451065  1
  C  C59  1  0.93363704  -0.00331010  0.04383078  1
  N  N60  1  0.24472206  0.33154361  0.49372449  1
  N  N61  1  0.25443710  0.66409492  0.99244506  1
  N  N62  1  0.75543344  0.66545775  0.50724591  1
  N  N63  1  0.74268856  0.33441330  0.00575629  1
  N  N64  1  0.35554221  0.11076084  0.45797717  1
  N  N65  1  0.14277457  0.88626636  0.95956482  1
  N  N66  1  0.64333177  0.88745619  0.54002685  1
  N  N67  1  0.85557247  0.11112927  0.03850472  1
  N  N68  1  0.03595764  0.92532639  0.57699578  1
  N  N69  1  0.47967775  0.08960363  0.07120511  1
  N  N70  1  0.96855168  0.08242621  0.42113579  1
  N  N71  1  0.54070011  0.92094282  0.92425474  1
  N  N72  1  0.09969768  0.84165798  0.61541033  1
  N  N73  1  0.41743138  0.17361599  0.11149725  1
  N  N74  1  0.90876387  0.16956974  0.38467265  1
  N  N75  1  0.59919676  0.83553805  0.88264483  1
  N  N76  1  0.15722766  0.75605828  0.64721885  1
  N  N77  1  0.34912269  0.24972529  0.14740125  1
  N  N78  1  0.84573601  0.25172320  0.35273976  1
  N  N79  1  0.65590334  0.75120048  0.84869994  1
  N  N80  1  0.94772914  0.19709803  0.65445099  1
  N  N81  1  0.53090120  0.80275721  0.14951645  1
  N  N82  1  0.03110355  0.80295020  0.35185644  1
  N  N83  1  0.48404518  0.19745641  0.85383226  1
  N  N84  1  0.86877721  0.16083396  0.73262383  1
  N  N85  1  0.62125992  0.84109151  0.22455821  1
  N  N86  1  0.12055632  0.84291260  0.27680627  1
  N  N87  1  0.38800733  0.15842347  0.78026842  1
  N  N88  1  0.78553982  0.13148762  0.81160582  1
  N  N89  1  0.71691620  0.88232720  0.29567413  1
  N  N90  1  0.21599487  0.88524337  0.20563780  1
  N  N91  1  0.29084685  0.12337997  0.71028381  1
