# generated using pymatgen
data_MnCrFeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.98458622
_cell_length_b   10.98672703
_cell_length_c   10.96749540
_cell_angle_alpha   88.92701220
_cell_angle_beta   88.63279627
_cell_angle_gamma   63.18885748
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrFeH8C14(NO)6
_chemical_formula_sum   'Mn2 Cr2 Fe2 H16 C28 N12 O12'
_cell_volume   1180.93460429
_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  0.90228102  0.10303074  0.26027896  1
  Mn  Mn1  1  0.09771827  0.89697079  0.73972026  1
  Cr  Cr2  1  0.85791024  0.99314409  -0.01068865  1
  Fe  Fe3  1  0.01307976  0.14283483  0.50598304  1
  Cr  Cr4  1  0.14208978  0.00685641  1.01068914  1
  Fe  Fe5  1  0.98691665  0.85717010  0.49401622  1
  H  H6  1  0.55009303  0.17079408  0.40118462  1
  H  H7  1  0.82295784  0.46856533  0.09619161  1
  H  H8  1  0.44991168  0.82919691  0.59881779  1
  H  H9  1  0.17704566  0.53143457  0.90380546  1
  H  H10  1  0.35030178  0.16028149  0.50691675  1
  H  H11  1  0.83722480  0.66790388  0.99413375  1
  H  H12  1  0.64969933  0.83971499  0.49308458  1
  H  H13  1  0.16278320  0.33209411  0.00586313  1
  H  H14  1  0.42578853  0.08265412  0.05381550  1
  H  H15  1  0.93026829  0.57602309  0.44241598  1
  H  H16  1  0.57421378  0.91734055  0.94618642  1
  H  H17  1  0.06972399  0.42398170  0.55758370  1
  H  H18  1  0.90032768  0.20761075  0.04069417  1
  H  H19  1  0.78823533  0.11980630  0.48438236  1
  H  H20  1  0.09967099  0.79239038  0.95930288  1
  H  H21  1  0.21176218  0.88019739  0.51561770  1
  C  C22  1  0.62929160  0.12127861  0.16472913  1
  C  C23  1  0.88493747  0.37958789  0.33073468  1
  C  C24  1  0.37070956  0.87871814  0.83527219  1
  C  C25  1  0.11505968  0.62041744  0.66926494  1
  C  C26  1  0.50382517  0.12283680  0.22186619  1
  C  C27  1  0.88175272  0.50602044  0.27438812  1
  C  C28  1  0.49617685  0.87715797  0.77813559  1
  C  C29  1  0.11824522  0.49398175  0.72560992  1
  C  C30  1  0.47942357  0.14814258  0.34918797  1
  C  C31  1  0.85108629  0.53514675  0.14875509  1
  C  C32  1  0.52057948  0.85185111  0.65081365  1
  C  C33  1  0.14891598  0.46485419  0.85124241  1
  C  C34  1  0.36902539  0.14267440  0.40937768  1
  C  C35  1  0.85834960  0.64570718  0.09067975  1
  C  C36  1  0.63097617  0.85732198  0.59062366  1
  C  C37  1  0.14165501  0.35429148  0.90931773  1
  C  C38  1  0.28180792  0.11207484  0.33944796  1
  C  C39  1  0.89615291  0.72746880  0.16109057  1
  C  C40  1  0.71819146  0.88792450  0.66055311  1
  C  C41  1  0.10385041  0.27253077  0.83890847  1
  C  C42  1  0.30306535  0.09100343  0.21301462  1
  C  C43  1  0.92325830  0.70089989  0.28588374  1
  C  C44  1  0.69693486  0.90899483  0.78698656  1
  C  C45  1  0.07674042  0.29910158  0.71411596  1
  C  C46  1  0.41255638  0.09775164  0.15173881  1
  C  C47  1  0.91285356  0.59252797  0.34504918  1
  C  C48  1  0.58744528  0.90224359  0.84826301  1
  C  C49  1  0.08714261  0.40747492  0.65495082  1
  N  N50  1  0.17222489  0.08764106  0.37107327  1
  N  N51  1  0.92411518  0.83468782  0.13104020  1
  N  N52  1  0.82777191  0.91236237  0.62892706  1
  N  N53  1  0.07588992  0.16531091  0.86895922  1
  N  N54  1  0.13397657  0.04612629  0.27201108  1
  N  N55  1  0.96750512  0.87158226  0.22957304  1
  N  N56  1  0.86602100  0.95387598  0.72799008  1
  N  N57  1  0.03249670  0.12841816  0.77042778  1
  N  N58  1  0.20416673  0.05711414  0.17454125  1
  N  N59  1  0.96648352  0.79377263  0.32477609  1
  N  N60  1  0.79583252  0.94288623  0.82545960  1
  N  N61  1  0.03351520  0.20622882  0.67522440  1
  O  O62  1  0.94061847  0.11259901  0.06754685  1
  O  O63  1  0.87982774  0.07254408  0.44937439  1
  O  O64  1  0.05938071  0.88740277  0.93245258  1
  O  O65  1  0.12016925  0.92745908  0.55062457  1
  O  O66  1  0.69697713  0.16028128  0.23143712  1
  O  O67  1  0.84648417  0.31136527  0.26278902  1
  O  O68  1  0.30302271  0.83971733  0.76856296  1
  O  O69  1  0.15351240  0.68863634  0.73720714  1
  O  O70  1  0.66267718  0.07900067  0.05430525  1
  O  O71  1  0.92907791  0.34620977  0.43918642  1
  O  O72  1  0.33732383  0.92099605  0.94569541  1
  O  O73  1  0.07091671  0.65379230  0.56081270  1
