# generated using pymatgen
data_MnVFeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.90330536
_cell_length_b   10.89818057
_cell_length_c   10.87843499
_cell_angle_alpha   89.23671726
_cell_angle_beta   89.02866244
_cell_angle_gamma   63.64200283
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVFeH8C14(NO)6
_chemical_formula_sum   'Mn2 V2 Fe2 H16 C28 N12 O12'
_cell_volume   1158.06589452
_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  0.89881171  0.10089568  0.24442379  1
  Mn  Mn1  1  0.10118681  0.89910753  0.75557348  1
  Fe  Fe2  1  0.85872730  0.98910319  -0.00359620  1
  V  V3  1  0.01269185  0.14447467  0.50006553  1
  Fe  Fe4  1  0.14127383  0.01089392  1.00359656  1
  V  V5  1  0.98730584  0.85553039  0.49993452  1
  H  H6  1  0.53885137  0.16993432  0.41404109  1
  H  H7  1  0.83066847  0.46280526  0.08963673  1
  H  H8  1  0.46115119  0.83005537  0.58596336  1
  H  H9  1  0.16933609  0.53719595  0.91036017  1
  H  H10  1  0.33654746  0.15801472  0.51543035  1
  H  H11  1  0.84253786  0.66679987  0.99252997  1
  H  H12  1  0.66344986  0.84198334  0.48457148  1
  H  H13  1  0.15747012  0.33319943  0.00746765  1
  H  H14  1  0.42460663  0.07491138  0.06049263  1
  H  H15  1  0.92611278  0.57255696  0.44559037  1
  H  H16  1  0.57539383  0.92508407  0.93951007  1
  H  H17  1  0.07387915  0.42744911  0.55440923  1
  H  H18  1  0.87918620  0.21991058  0.02302784  1
  H  H19  1  0.78485668  0.12610412  0.47338991  1
  H  H20  1  0.12081572  0.78008844  0.97696840  1
  H  H21  1  0.21514149  0.87389994  0.52660739  1
  C  C22  1  0.62230963  0.11951828  0.17577047  1
  C  C23  1  0.87967518  0.37802729  0.32886731  1
  C  C24  1  0.37769222  0.88047392  0.82423246  1
  C  C25  1  0.12032037  0.62197662  0.67113044  1
  C  C26  1  0.49624063  0.11965393  0.23188199  1
  C  C27  1  0.88241948  0.50204946  0.27301375  1
  C  C28  1  0.50376116  0.88033907  0.76812139  1
  C  C29  1  0.11757749  0.49795461  0.72698484  1
  C  C30  1  0.46951926  0.14554854  0.35966070  1
  C  C31  1  0.85612404  0.53069451  0.14538727  1
  C  C32  1  0.53048221  0.85444375  0.64034280  1
  C  C33  1  0.14387791  0.46930768  0.85461059  1
  C  C34  1  0.35679408  0.14069583  0.41720671  1
  C  C35  1  0.86140512  0.64421081  0.09020040  1
  C  C36  1  0.64320468  0.85930060  0.58279551  1
  C  C37  1  0.13860019  0.35579016  0.90979746  1
  C  C38  1  0.26953640  0.11129955  0.34336494  1
  C  C39  1  0.89243030  0.72985972  0.16537274  1
  C  C40  1  0.73046052  0.88870061  0.65663602  1
  C  C41  1  0.10757498  0.27014086  0.83462579  1
  C  C42  1  0.29536176  0.08521472  0.21709594  1
  C  C43  1  0.91613534  0.70334199  0.29174316  1
  C  C44  1  0.70463703  0.91478400  0.78290523  1
  C  C45  1  0.08386280  0.29666163  0.70825644  1
  C  C46  1  0.40758897  0.09168152  0.15882652  1
  C  C47  1  0.91049960  0.59013147  0.34739637  1
  C  C48  1  0.59241230  0.90831339  0.84117626  1
  C  C49  1  0.08949479  0.40987383  0.65260293  1
  N  N50  1  0.15571471  0.09184741  0.37027112  1
  N  N51  1  0.91304723  0.84312097  0.13861799  1
  N  N52  1  0.84427998  0.90815633  0.62972754  1
  N  N53  1  0.08696628  0.15687514  0.86138024  1
  N  N54  1  0.12272563  0.04112313  0.26845922  1
  N  N55  1  0.96350028  0.87469632  0.23714763  1
  N  N56  1  0.87726912  0.95888165  0.73153914  1
  N  N57  1  0.03650723  0.12530252  0.76285380  1
  N  N58  1  0.19893042  0.04747849  0.17457481  1
  N  N59  1  0.95123691  0.80237222  0.33512715  1
  N  N60  1  0.80106585  0.95252543  0.82542424  1
  N  N61  1  0.04876297  0.19762989  0.66487360  1
  O  O62  1  0.92714433  0.12532346  0.05127720  1
  O  O63  1  0.88138151  0.07321179  0.45050299  1
  O  O64  1  0.07285529  0.87467558  0.94871957  1
  O  O65  1  0.11861725  0.92679290  0.54949605  1
  O  O66  1  0.69240541  0.15370701  0.24777037  1
  O  O67  1  0.84108456  0.30912924  0.26056028  1
  O  O68  1  0.30759459  0.84628936  0.75223085  1
  O  O69  1  0.15891192  0.69087497  0.73943759  1
  O  O70  1  0.65326075  0.08219726  0.06408777  1
  O  O71  1  0.91735944  0.34661960  0.44171338  1
  O  O72  1  0.34674239  0.91779141  0.93591605  1
  O  O73  1  0.08263578  0.65338411  0.55828510  1
