# generated using pymatgen
data_MnV2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.89633000
_cell_length_b   10.89066895
_cell_length_c   10.86507789
_cell_angle_alpha   89.24649659
_cell_angle_beta   89.04340765
_cell_angle_gamma   63.66671855
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2H8C14(NO)6
_chemical_formula_sum   'Mn2 V4 H16 C28 N12 O12'
_cell_volume   1155.35950387
_cell_formula_units_Z   2
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  0.90042601  0.09999645  0.25021237  1
  Mn  Mn1  1  0.09957168  0.90000771  0.74978490  1
  V  V2  1  0.85689894  0.98378953  0.00047116  1
  V  V3  1  0.01606810  0.14317592  0.49986017  1
  V  V4  1  0.14310236  0.01620867  0.99952791  1
  V  V5  1  0.98392888  0.85682950  0.50013996  1
  H  H6  1  0.53700379  0.16918230  0.41285566  1
  H  H7  1  0.82968102  0.46346712  0.08815400  1
  H  H8  1  0.46299925  0.83080740  0.58714801  1
  H  H9  1  0.17032382  0.53653382  0.91184263  1
  H  H10  1  0.33403700  0.15682136  0.51121341  1
  H  H11  1  0.84135855  0.66643350  0.98959495  1
  H  H12  1  0.66596059  0.84317673  0.48878780  1
  H  H13  1  0.15864929  0.33356624  0.01040289  1
  H  H14  1  0.42618028  0.07549015  0.05635181  1
  H  H15  1  0.92764792  0.57383640  0.44317773  1
  H  H16  1  0.57382042  0.92450474  0.94365028  1
  H  H17  1  0.07234384  0.42616916  0.55682209  1
  H  H18  1  0.87262744  0.21520470  0.02031839  1
  H  H19  1  0.78502755  0.12715380  0.48028392  1
  H  H20  1  0.12737449  0.78479430  0.97967734  1
  H  H21  1  0.21497061  0.87285033  0.51971299  1
  C  C22  1  0.62271380  0.11928476  0.17380006  1
  C  C23  1  0.88122022  0.37776288  0.32678161  1
  C  C24  1  0.37728835  0.88070777  0.82620370  1
  C  C25  1  0.11877535  0.62224083  0.67321632  1
  C  C26  1  0.49738956  0.11835939  0.22913240  1
  C  C27  1  0.88230991  0.50287226  0.27121535  1
  C  C28  1  0.50261240  0.88163320  0.77087068  1
  C  C29  1  0.11768777  0.49713102  0.72878311  1
  C  C30  1  0.46894033  0.14412268  0.35705500  1
  C  C31  1  0.85541058  0.53141433  0.14362634  1
  C  C32  1  0.53106175  0.85586917  0.64294809  1
  C  C33  1  0.14459180  0.46858730  0.85637157  1
  C  C34  1  0.35525493  0.13924779  0.41302381  1
  C  C35  1  0.85991105  0.64511090  0.08754616  1
  C  C36  1  0.64474428  0.86074847  0.58697811  1
  C  C37  1  0.14009387  0.35489007  0.91245165  1
  C  C38  1  0.26817277  0.11032308  0.33764605  1
  C  C39  1  0.88981112  0.73208511  0.16241050  1
  C  C40  1  0.73182521  0.88967613  0.66235433  1
  C  C41  1  0.11019356  0.26791584  0.83758867  1
  C  C42  1  0.29474677  0.08648813  0.21110700  1
  C  C43  1  0.91533275  0.70508361  0.28849259  1
  C  C44  1  0.70525287  0.91350941  0.78889395  1
  C  C45  1  0.08466674  0.29491885  0.71150688  1
  C  C46  1  0.40845363  0.09125245  0.15475239  1
  C  C47  1  0.91077849  0.59150689  0.34498804  1
  C  C48  1  0.59154769  0.90874174  0.84524994  1
  C  C49  1  0.08921702  0.40849718  0.65501186  1
  N  N50  1  0.15384572  0.09021553  0.36359394  1
  N  N51  1  0.90933913  0.84672026  0.13637947  1
  N  N52  1  0.84614881  0.90978931  0.63640470  1
  N  N53  1  0.09066928  0.15327912  0.86362089  1
  N  N54  1  0.12214621  0.03877282  0.26257450  1
  N  N55  1  0.96225982  0.87800445  0.23648693  1
  N  N56  1  0.87784851  0.96123230  0.73742378  1
  N  N57  1  0.03774584  0.12199468  0.76351456  1
  N  N58  1  0.19532985  0.05192343  0.16669846  1
  N  N59  1  0.95037055  0.80444183  0.33261284  1
  N  N60  1  0.80466724  0.94807895  0.83330055  1
  N  N61  1  0.04963010  0.19555898  0.66738821  1
  O  O62  1  0.92569189  0.12005679  0.04690587  1
  O  O63  1  0.88024744  0.07422978  0.45347179  1
  O  O64  1  0.07430869  0.87994271  0.95309150  1
  O  O65  1  0.11975112  0.92577471  0.54652610  1
  O  O66  1  0.69386746  0.15333570  0.24431772  1
  O  O67  1  0.84622897  0.30679209  0.25670048  1
  O  O68  1  0.30613321  0.84665912  0.75568546  1
  O  O69  1  0.15376679  0.69321232  0.74329799  1
  O  O70  1  0.65429946  0.08347709  0.06025389  1
  O  O71  1  0.91777301  0.34613970  0.43987512  1
  O  O72  1  0.34570231  0.91651607  0.93974967  1
  O  O73  1  0.08222265  0.65386401  0.56012345  1
