# generated using pymatgen
data_MnCrFeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.96741192
_cell_length_b   10.98042939
_cell_length_c   10.99664670
_cell_angle_alpha   88.88188892
_cell_angle_beta   88.54586674
_cell_angle_gamma   63.24544639
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrFeH8C14(NO)6
_chemical_formula_sum   'Mn2 Cr2 Fe2 H16 C28 N12 O12'
_cell_volume   1182.08812074
_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
  Fe  Fe0  1  0.90805888  0.09336980  0.25638262  1
  Fe  Fe1  1  0.09194324  0.90663312  0.74361631  1
  Cr  Cr2  1  0.85592627  0.99466482  -0.01246528  1
  Mn  Mn3  1  0.00209592  0.15113047  0.50666561  1
  Cr  Cr4  1  0.14407400  0.00533515  1.01246374  1
  Mn  Mn5  1  0.99790183  0.84887338  0.49333499  1
  H  H6  1  0.54909500  0.17456564  0.39877407  1
  H  H7  1  0.81960940  0.46749908  0.08930789  1
  H  H8  1  0.45090884  0.82542478  0.60122860  1
  H  H9  1  0.18039373  0.53250062  0.91069033  1
  H  H10  1  0.35209547  0.15864726  0.50545762  1
  H  H11  1  0.83179525  0.66849857  0.98809735  1
  H  H12  1  0.64790469  0.84134965  0.49454334  1
  H  H13  1  0.16821250  0.33149879  0.01190021  1
  H  H14  1  0.42407948  0.08658607  0.05269826  1
  H  H15  1  0.93232941  0.57201973  0.43353546  1
  H  H16  1  0.57592302  0.91340820  0.94730304  1
  H  H17  1  0.06766307  0.42798546  0.56646552  1
  H  H18  1  0.90230142  0.20551539  0.05326798  1
  H  H19  1  0.78508579  0.10427052  0.46093385  1
  H  H20  1  0.09769890  0.79448461  0.94672740  1
  H  H21  1  0.21491346  0.89573291  0.53906466  1
  C  C22  1  0.63072998  0.12115507  0.16396484  1
  C  C23  1  0.88615065  0.37596970  0.32294226  1
  C  C24  1  0.36927178  0.87884072  0.83603612  1
  C  C25  1  0.11384529  0.62403403  0.67705787  1
  C  C26  1  0.50391397  0.12457253  0.22046294  1
  C  C27  1  0.88123843  0.50309635  0.26636131  1
  C  C28  1  0.49608820  0.87542202  0.77953853  1
  C  C29  1  0.11875942  0.49690628  0.73363843  1
  C  C30  1  0.47939250  0.14993908  0.34740699  1
  C  C31  1  0.84852872  0.53366244  0.14154220  1
  C  C32  1  0.52060935  0.85005426  0.65259452  1
  C  C33  1  0.15147318  0.46633810  0.85845661  1
  C  C34  1  0.37035701  0.14188477  0.40808799  1
  C  C35  1  0.85420729  0.64548309  0.08412838  1
  C  C36  1  0.62964305  0.85811180  0.59191245  1
  C  C37  1  0.14579744  0.35451563  0.91587042  1
  C  C38  1  0.28372071  0.10984838  0.33877522  1
  C  C39  1  0.89363865  0.72640120  0.15383247  1
  C  C40  1  0.71627737  0.89015165  0.66122538  1
  C  C41  1  0.10636459  0.27359792  0.84616653  1
  C  C42  1  0.30298771  0.09220311  0.21211034  1
  C  C43  1  0.92591951  0.69633414  0.27717900  1
  C  C44  1  0.69701177  0.90779519  0.78788994  1
  C  C45  1  0.07407922  0.30366788  0.72282123  1
  C  C46  1  0.41188352  0.10016748  0.15058215  1
  C  C47  1  0.91421659  0.58860633  0.33655226  1
  C  C48  1  0.58811814  0.89982804  0.84941908  1
  C  C49  1  0.08577941  0.41139702  0.66344811  1
  N  N50  1  0.17742636  0.08128374  0.37213638  1
  N  N51  1  0.92062924  0.83489184  0.12517754  1
  N  N52  1  0.82256891  0.91872032  0.62786297  1
  N  N53  1  0.07937543  0.16510646  0.87482121  1
  N  N54  1  0.13405489  0.04652590  0.27290176  1
  N  N55  1  0.96881182  0.86755837  0.22340556  1
  N  N56  1  0.86594096  0.95347810  0.72709722  1
  N  N57  1  0.03119002  0.13244195  0.77659435  1
  N  N58  1  0.20369706  0.05817484  0.17449842  1
  N  N59  1  0.97436603  0.78476966  0.31571325  1
  N  N60  1  0.79630084  0.94182627  0.82550096  1
  N  N61  1  0.02563237  0.21523261  0.68428739  1
  O  O62  1  0.94284695  0.10826907  0.07247016  1
  O  O63  1  0.88098067  0.06383887  0.43593534  1
  O  O64  1  0.05715309  0.89173166  0.92752864  1
  O  O65  1  0.11901905  0.93616405  0.56406413  1
  O  O66  1  0.70217134  0.15427230  0.23183533  1
  O  O67  1  0.85575537  0.30176094  0.25502295  1
  O  O68  1  0.29783055  0.84572446  0.76816503  1
  O  O69  1  0.14424009  0.69824294  0.74497739  1
  O  O70  1  0.66102235  0.08298883  0.05247238  1
  O  O71  1  0.92465284  0.34872996  0.43341583  1
  O  O72  1  0.33897871  0.91700761  0.94752870  1
  O  O73  1  0.07534245  0.65127380  0.56658441  1
