# generated using pymatgen
data_Mn2NiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.94768259
_cell_length_b   10.94151542
_cell_length_c   10.96822549
_cell_angle_alpha   89.02681362
_cell_angle_beta   88.82596935
_cell_angle_gamma   63.41751304
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NiH8C14(NO)6
_chemical_formula_sum   'Mn4 Ni2 H16 C28 N12 O12'
_cell_volume   1174.64641855
_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
  Ni  Ni0  1  0.90123914  0.09913384  0.25030923  1
  Ni  Ni1  1  0.09875972  0.90086929  0.74968964  1
  Mn  Mn2  1  0.85031108  1.00551451  -0.01069375  1
  Mn  Mn3  1  -0.00482497  0.14965226  0.51083911  1
  Mn  Mn4  1  0.14969032  -0.00551568  1.01069244  1
  Mn  Mn5  1  1.00482186  0.85035112  0.48916061  1
  H  H6  1  0.54201556  0.17498509  0.40989970  1
  H  H7  1  0.82375291  0.45834744  0.09141597  1
  H  H8  1  0.45798778  0.82500599  0.59010368  1
  H  H9  1  0.17625111  0.54165192  0.90858117  1
  H  H10  1  0.34217133  0.16113916  0.51397384  1
  H  H11  1  0.83680342  0.65811282  0.98703366  1
  H  H12  1  0.65782785  0.83885805  0.48602761  1
  H  H13  1  0.16320650  0.34188418  0.01296376  1
  H  H14  1  0.42475093  0.07667720  0.06312178  1
  H  H15  1  0.92689818  0.57499713  0.43643256  1
  H  H16  1  0.57525244  0.92331655  0.93688016  1
  H  H17  1  0.07309277  0.42500866  0.56356779  1
  H  H18  1  0.89901191  0.21597129  0.05375625  1
  H  H19  1  0.78420040  0.10148206  0.44708553  1
  H  H20  1  0.10098743  0.78402961  0.94624167  1
  H  H21  1  0.21579822  0.89851978  0.55291274  1
  C  C22  1  0.62542448  0.11880020  0.17207421  1
  C  C23  1  0.88218910  0.37478171  0.32862833  1
  C  C24  1  0.37457797  0.88119333  0.82792781  1
  C  C25  1  0.11780666  0.62522256  0.67137138  1
  C  C26  1  0.49956639  0.12126160  0.23105159  1
  C  C27  1  0.87962301  0.50047092  0.26940997  1
  C  C28  1  0.50043577  0.87873269  0.76895107  1
  C  C29  1  0.12037438  0.49953170  0.73058909  1
  C  C30  1  0.47320408  0.14898476  0.35767782  1
  C  C31  1  0.85048559  0.52704076  0.14322238  1
  C  C32  1  0.52679779  0.85100920  0.64232458  1
  C  C33  1  0.14951701  0.47295945  0.85677569  1
  C  C34  1  0.36225738  0.14242930  0.41670403  1
  C  C35  1  0.85650486  0.63805341  0.08403742  1
  C  C36  1  0.63774234  0.85756770  0.58329717  1
  C  C37  1  0.14350168  0.36194532  0.91596109  1
  C  C38  1  0.27656396  0.10883607  0.34662884  1
  C  C39  1  0.89118146  0.72360281  0.15346835  1
  C  C40  1  0.72343377  0.89116487  0.65337160  1
  C  C41  1  0.10882314  0.27639674  0.84652968  1
  C  C42  1  0.30063186  0.08473759  0.22070687  1
  C  C43  1  0.91777633  0.69867550  0.27880859  1
  C  C44  1  0.69936735  0.91526201  0.77929356  1
  C  C45  1  0.08222202  0.30132713  0.72119127  1
  C  C46  1  0.40999888  0.09331884  0.16076006  1
  C  C47  1  0.90920353  0.58961251  0.33904249  1
  C  C48  1  0.59000289  0.90667673  0.83924180  1
  C  C49  1  0.09079135  0.41039135  0.66095697  1
  N  N50  1  0.16750789  0.08353601  0.37724099  1
  N  N51  1  0.91585855  0.83299501  0.12250901  1
  N  N52  1  0.83248717  0.91646902  0.62275811  1
  N  N53  1  0.08414996  0.16700225  0.87748935  1
  N  N54  1  0.12734599  0.04530809  0.27681411  1
  N  N55  1  0.95612278  0.87245765  0.22215599  1
  N  N56  1  0.87264827  0.95469872  0.72318398  1
  N  N57  1  0.04388128  0.12754176  0.77784321  1
  N  N58  1  0.20523385  0.04573674  0.18147606  1
  N  N59  1  0.95848124  0.79336820  0.31711644  1
  N  N60  1  0.79476232  0.95426770  0.81852285  1
  N  N61  1  0.04151634  0.20663453  0.68288384  1
  O  O62  1  0.93644422  0.11829379  0.07104745  1
  O  O63  1  0.88189532  0.06366803  0.42948750  1
  O  O64  1  0.06355593  0.88170732  0.92895145  1
  O  O65  1  0.11810326  0.93633452  0.57051124  1
  O  O66  1  0.69955638  0.15037864  0.23945734  1
  O  O67  1  0.84927834  0.30102452  0.26179824  1
  O  O68  1  0.30044478  0.84961786  0.76054445  1
  O  O69  1  0.15071773  0.69897888  0.73820071  1
  O  O70  1  0.64996092  0.08291544  0.06029343  1
  O  O71  1  0.91940170  0.34997606  0.43981199  1
  O  O72  1  0.35004261  0.91707545  0.93971049  1
  O  O73  1  0.08059282  0.65002757  0.56018738  1
