# generated using pymatgen
data_MnCrFeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.99669796
_cell_length_b   10.96916025
_cell_length_c   11.00890777
_cell_angle_alpha   88.69200984
_cell_angle_beta   88.64617805
_cell_angle_gamma   63.19748054
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrFeH8C14(NO)6
_chemical_formula_sum   'Mn2 Cr2 Fe2 H16 C28 N12 O12'
_cell_volume   1184.83692987
_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  0.90727671  0.09145472  0.24403589  1
  Fe  Fe1  1  0.09272386  0.90855065  0.75596307  1
  Mn  Mn2  1  0.84892855  0.99753803  -0.00616147  1
  Cr  Cr3  1  0.00521212  0.14445768  0.51305811  1
  Mn  Mn4  1  0.15107223  0.00246152  1.00616185  1
  Cr  Cr5  1  0.99478348  0.85554652  0.48694124  1
  H  H6  1  0.53237910  0.17988942  0.41160682  1
  H  H7  1  0.82346677  0.45072405  0.10281175  1
  H  H8  1  0.46762469  0.82010294  0.58839501  1
  H  H9  1  0.17653569  0.54927478  0.89718528  1
  H  H10  1  0.33168952  0.16681976  0.51276642  1
  H  H11  1  0.83969261  0.64711404  0.99579167  1
  H  H12  1  0.66831124  0.83317754  0.48723494  1
  H  H13  1  0.16031641  0.35288181  0.00420422  1
  H  H14  1  0.42795589  0.06993191  0.06668715  1
  H  H15  1  0.91593402  0.57436761  0.44698366  1
  H  H16  1  0.57204480  0.93006370  0.93331684  1
  H  H17  1  0.08405550  0.42563793  0.55301459  1
  H  H18  1  0.89633324  0.21482210  0.04103246  1
  H  H19  1  0.79535174  0.09698825  0.44666654  1
  H  H20  1  0.10366605  0.78518004  0.95896589  1
  H  H21  1  0.20464493  0.90301504  0.55332994  1
  C  C22  1  0.62440177  0.11405317  0.17789442  1
  C  C23  1  0.87869176  0.36900787  0.33700323  1
  C  C24  1  0.37559930  0.88593908  0.82210067  1
  C  C25  1  0.12130468  0.63099871  0.66300023  1
  C  C26  1  0.49706340  0.11925606  0.23433405  1
  C  C27  1  0.87550313  0.49538545  0.28018751  1
  C  C28  1  0.50294158  0.88073902  0.76567152  1
  C  C29  1  0.12449379  0.50461817  0.71980970  1
  C  C30  1  0.46635466  0.15123440  0.35923562  1
  C  C31  1  0.84906065  0.52001861  0.15371022  1
  C  C32  1  0.53364780  0.84875930  0.64076382  1
  C  C33  1  0.15094142  0.47998133  0.84628733  1
  C  C34  1  0.35461709  0.14527082  0.41660323  1
  C  C35  1  0.85716658  0.62876232  0.09284961  1
  C  C36  1  0.64538525  0.85472756  0.58340109  1
  C  C37  1  0.14283882  0.37123453  0.90714588  1
  C  C38  1  0.27365987  0.10663219  0.34645020  1
  C  C39  1  0.89018851  0.71510478  0.16145383  1
  C  C40  1  0.72633707  0.89336731  0.65354987  1
  C  C41  1  0.10981707  0.28489324  0.83854486  1
  C  C42  1  0.30350417  0.07552027  0.22282883  1
  C  C43  1  0.90891034  0.69568684  0.28773765  1
  C  C44  1  0.69649328  0.92447710  0.77716934  1
  C  C45  1  0.09108831  0.30431452  0.71225914  1
  C  C46  1  0.41129962  0.08737534  0.16365322  1
  C  C47  1  0.90108563  0.58698719  0.34947584  1
  C  C48  1  0.58870389  0.91262112  0.83635087  1
  C  C49  1  0.09890884  0.41301563  0.65052470  1
  N  N50  1  0.16562713  0.07903774  0.37501297  1
  N  N51  1  0.91836012  0.82148181  0.12772145  1
  N  N52  1  0.83436840  0.92096827  0.62498720  1
  N  N53  1  0.08164848  0.17851291  0.87227700  1
  N  N54  1  0.13267843  0.03222920  0.27626879  1
  N  N55  1  0.95448071  0.86435759  0.22632637  1
  N  N56  1  0.86731959  0.96777681  0.72373214  1
  N  N57  1  0.04552470  0.13563888  0.77367332  1
  N  N58  1  0.21516735  0.02752946  0.18386087  1
  N  N59  1  0.94364075  0.79459016  0.32479437  1
  N  N60  1  0.78482812  0.97247398  0.81614240  1
  N  N61  1  0.05635949  0.20540886  0.67520517  1
  O  O62  1  0.93667678  0.11867888  0.06483509  1
  O  O63  1  0.89261122  0.05630184  0.42739335  1
  O  O64  1  0.06332363  0.88132380  0.93516327  1
  O  O65  1  0.10738607  0.94370164  0.57260613  1
  O  O66  1  0.69918157  0.14255874  0.24652515  1
  O  O67  1  0.84407235  0.29798488  0.26999439  1
  O  O68  1  0.30082417  0.85743798  0.75348074  1
  O  O69  1  0.15591929  0.70201813  0.73000136  1
  O  O70  1  0.65129852  0.07726650  0.06696543  1
  O  O71  1  0.91790183  0.33875255  0.44778571  1
  O  O72  1  0.34870168  0.92272915  0.93304189  1
  O  O73  1  0.08209267  0.66125109  0.55221148  1
