# generated using pymatgen
data_MnCrNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.93864611
_cell_length_b   10.94024707
_cell_length_c   10.91606308
_cell_angle_alpha   89.01839376
_cell_angle_beta   88.70013865
_cell_angle_gamma   63.39096031
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrNiH8C14(NO)6
_chemical_formula_sum   'Mn2 Cr2 Ni2 H16 C28 N12 O12'
_cell_volume   1167.64245561
_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  0.90122504  0.10546496  0.26264842  1
  Mn  Mn1  1  0.09877362  0.89453856  0.73735036  1
  Cr  Cr2  1  0.85832125  0.99268054  -0.00764389  1
  Ni  Ni3  1  0.02411029  0.13889186  0.50600856  1
  Cr  Cr4  1  0.14167924  0.00731808  1.00764495  1
  Ni  Ni5  1  0.97588649  0.86111148  0.49399146  1
  H  H6  1  0.54566503  0.16866477  0.40659969  1
  H  H7  1  0.82750867  0.46600990  0.09700671  1
  H  H8  1  0.45433816  0.83132598  0.59340364  1
  H  H9  1  0.17249414  0.53398961  0.90299180  1
  H  H10  1  0.34249305  0.16013609  0.50940021  1
  H  H11  1  0.84128093  0.66724266  0.99546205  1
  H  H12  1  0.65750713  0.83985932  0.49060125  1
  H  H13  1  0.15872740  0.33275358  0.00453533  1
  H  H14  1  0.42539293  0.08046778  0.05494321  1
  H  H15  1  0.92563585  0.57862094  0.44767725  1
  H  H16  1  0.57461035  0.91952699  0.94505820  1
  H  H17  1  0.07435645  0.42138444  0.55232284  1
  H  H18  1  0.89826391  0.20761366  0.03800247  1
  H  H19  1  0.79354055  0.12765638  0.48871573  1
  H  H20  1  0.10173847  0.79238718  0.96199443  1
  H  H21  1  0.20645737  0.87234701  0.51128232  1
  C  C22  1  0.62832557  0.11871282  0.16907349  1
  C  C23  1  0.88433764  0.37834557  0.33189516  1
  C  C24  1  0.37167559  0.88128300  0.83092956  1
  C  C25  1  0.11565823  0.62165781  0.66810405  1
  C  C26  1  0.50164639  0.12061032  0.22520710  1
  C  C27  1  0.88161022  0.50644383  0.27716101  1
  C  C28  1  0.49835619  0.87938387  0.77479512  1
  C  C29  1  0.11838788  0.49355831  0.72283823  1
  C  C30  1  0.47514971  0.14633724  0.35300591  1
  C  C31  1  0.85333885  0.53432445  0.15056103  1
  C  C32  1  0.52485220  0.85365597  0.64699648  1
  C  C33  1  0.14666366  0.46567568  0.84943764  1
  C  C34  1  0.36307747  0.14160575  0.41169501  1
  C  C35  1  0.86059029  0.64536013  0.09274225  1
  C  C36  1  0.63692306  0.85838986  0.58830608  1
  C  C37  1  0.13941531  0.35463777  0.90725543  1
  C  C38  1  0.27668162  0.11004745  0.34024818  1
  C  C39  1  0.89606741  0.72832389  0.16493487  1
  C  C40  1  0.72331764  0.88995188  0.65975195  1
  C  C41  1  0.10393715  0.27167467  0.83506366  1
  C  C42  1  0.30070302  0.08851690  0.21356509  1
  C  C43  1  0.91984241  0.70428172  0.29103210  1
  C  C44  1  0.69929694  0.91148308  0.78643463  1
  C  C45  1  0.08015782  0.29571938  0.70896679  1
  C  C46  1  0.41103687  0.09558817  0.15328311  1
  C  C47  1  0.90984859  0.59455438  0.34961135  1
  C  C48  1  0.58896534  0.90440752  0.84671854  1
  C  C49  1  0.09014799  0.40544894  0.65038796  1
  N  N50  1  0.16733476  0.08351618  0.36984335  1
  N  N51  1  0.92534490  0.83499483  0.13457257  1
  N  N52  1  0.83266188  0.91648693  0.63015601  1
  N  N53  1  0.07466104  0.16500278  0.86542591  1
  N  N54  1  0.13372158  0.03804577  0.26998387  1
  N  N55  1  0.96758860  0.87289622  0.23397124  1
  N  N56  1  0.86627245  0.96196201  0.73001370  1
  N  N57  1  0.03241375  0.12710345  0.76602804  1
  N  N58  1  0.20442535  0.05127037  0.17348397  1
  N  N59  1  0.95984443  0.80026047  0.33084019  1
  N  N60  1  0.79557053  0.94873494  0.82651425  1
  N  N61  1  0.04015356  0.19974204  0.66915959  1
  O  O62  1  0.94032340  0.11353788  0.06812689  1
  O  O63  1  0.88313323  0.07641390  0.45017224  1
  O  O64  1  0.05967666  0.88646315  0.93187145  1
  O  O65  1  0.11686431  0.92358924  0.54982707  1
  O  O66  1  0.69557137  0.15816426  0.23678685  1
  O  O67  1  0.84347152  0.31336108  0.26126789  1
  O  O68  1  0.30442924  0.84183294  0.76321466  1
  O  O69  1  0.15652448  0.68664279  0.73873232  1
  O  O70  1  0.66265969  0.07595389  0.05829698  1
  O  O71  1  0.92953172  0.34203927  0.43978720  1
  O  O72  1  0.33734166  0.92404186  0.94170584  1
  O  O73  1  0.07046305  0.65796446  0.56021357  1
