# generated using pymatgen
data_MnCr2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.85978933
_cell_length_b   10.83807960
_cell_length_c   11.11990793
_cell_angle_alpha   88.38344510
_cell_angle_beta   88.41356566
_cell_angle_gamma   63.78592844
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2H8C14(NO)6
_chemical_formula_sum   'Mn2 Cr4 H16 C28 N12 O12'
_cell_volume   1173.55778920
_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
  Cr  Cr0  1  0.91154519  0.08322369  0.24802425  1
  Cr  Cr1  1  0.08845390  0.91677715  0.75197556  1
  Mn  Mn2  1  0.84848760  0.99458935  -0.01012701  1
  Cr  Cr3  1  0.00117653  0.14858520  0.51409133  1
  Mn  Mn4  1  0.15151209  0.00541111  1.01012709  1
  Cr  Cr5  1  0.99882142  0.85141687  0.48590843  1
  H  H6  1  0.53289981  0.17855450  0.41212300  1
  H  H7  1  0.82611727  0.45203299  0.09850209  1
  H  H8  1  0.46710179  0.82144210  0.58787793  1
  H  H9  1  0.17388782  0.54796493  0.90149602  1
  H  H10  1  0.32953072  0.16537313  0.51139464  1
  H  H11  1  0.84327651  0.65169767  0.99547493  1
  H  H12  1  0.67046941  0.83462560  0.48860581  1
  H  H13  1  0.15673102  0.34829945  0.00452338  1
  H  H14  1  0.43047066  0.06374447  0.07148288  1
  H  H15  1  0.91978214  0.57161424  0.44118939  1
  H  H16  1  0.56953091  0.93625143  0.92851781  1
  H  H17  1  0.08021084  0.42838991  0.55881106  1
  H  H18  1  0.88991194  0.21433508  0.05454019  1
  H  H19  1  0.79454077  0.09103721  0.44556210  1
  H  H20  1  0.11008826  0.78566405  0.94545986  1
  H  H21  1  0.20545781  0.90896465  0.55443756  1
  C  C22  1  0.62716112  0.11161583  0.17953678  1
  C  C23  1  0.88214349  0.36560882  0.33114581  1
  C  C24  1  0.37283873  0.88838295  0.82046368  1
  C  C25  1  0.11785555  0.63439208  0.66885335  1
  C  C26  1  0.49926500  0.11549638  0.23662769  1
  C  C27  1  0.87942273  0.49340036  0.27518640  1
  C  C28  1  0.50073540  0.88450117  0.76337267  1
  C  C29  1  0.12057680  0.50660040  0.72481267  1
  C  C30  1  0.46719629  0.14819981  0.36021847  1
  C  C31  1  0.85318320  0.52059960  0.14983382  1
  C  C32  1  0.53280447  0.85179765  0.63978207  1
  C  C33  1  0.14682005  0.47939929  0.85016453  1
  C  C34  1  0.35349557  0.14211689  0.41651094  1
  C  C35  1  0.86157422  0.63195494  0.09140930  1
  C  C36  1  0.64650478  0.85788159  0.58348970  1
  C  C37  1  0.13843029  0.36804357  0.90858890  1
  C  C38  1  0.27095446  0.10293893  0.34745293  1
  C  C39  1  0.89495785  0.71908615  0.16033206  1
  C  C40  1  0.72904523  0.89706055  0.65254753  1
  C  C41  1  0.10504406  0.28091361  0.83966726  1
  C  C42  1  0.30103720  0.07240910  0.22509079  1
  C  C43  1  0.91324905  0.69734063  0.28520852  1
  C  C44  1  0.69896327  0.92758916  0.77490973  1
  C  C45  1  0.08674886  0.30266086  0.71479141  1
  C  C46  1  0.41243870  0.08244063  0.16725451  1
  C  C47  1  0.90515999  0.58572948  0.34464426  1
  C  C48  1  0.58756206  0.91755662  0.83274676  1
  C  C49  1  0.09483649  0.41427284  0.65535533  1
  N  N50  1  0.15806249  0.08032790  0.37548951  1
  N  N51  1  0.91882775  0.83033625  0.12897061  1
  N  N52  1  0.84193613  0.91967330  0.62451033  1
  N  N53  1  0.08117554  0.16966293  0.87102905  1
  N  N54  1  0.11854786  0.04084735  0.27574400  1
  N  N55  1  0.94803584  0.87775293  0.22868017  1
  N  N56  1  0.88145106  0.95915343  0.72425606  1
  N  N57  1  0.05196366  0.12224819  0.77132024  1
  N  N58  1  0.20651497  0.03123029  0.18493735  1
  N  N59  1  0.94242631  0.80005853  0.32511045  1
  N  N60  1  0.79348470  0.96876896  0.81506305  1
  N  N61  1  0.05757016  0.19994363  0.67488985  1
  O  O62  1  0.93203822  0.11547459  0.07173864  1
  O  O63  1  0.89204470  0.05499614  0.42478040  1
  O  O64  1  0.06796066  0.88452756  0.92826081  1
  O  O65  1  0.10795397  0.94500576  0.57521893  1
  O  O66  1  0.70636826  0.13737617  0.24786639  1
  O  O67  1  0.85783292  0.28698974  0.26174002  1
  O  O68  1  0.29363121  0.86262422  0.75213319  1
  O  O69  1  0.14216625  0.71301071  0.73825944  1
  O  O70  1  0.65134903  0.08026108  0.06917182  1
  O  O71  1  0.90931417  0.34075749  0.44324082  1
  O  O72  1  0.34865115  0.91973682  0.93082837  1
  O  O73  1  0.09068417  0.65924417  0.55675868  1
