# generated using pymatgen
data_Mn2NiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.95311829
_cell_length_b   10.94052078
_cell_length_c   10.92466880
_cell_angle_alpha   89.10323422
_cell_angle_beta   88.89384407
_cell_angle_gamma   63.42045183
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NiH8C14(NO)6
_chemical_formula_sum   'Mn4 Ni2 H16 C28 N12 O12'
_cell_volume   1170.52255476
_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  0.89713039  0.10787331  0.25538960  1
  Mn  Mn1  1  0.10286871  0.89213010  0.74460801  1
  Mn  Mn2  1  0.85123646  0.99911628  -0.00438612  1
  Ni  Ni3  1  0.01766137  0.14067325  0.50878304  1
  Mn  Mn4  1  0.14876538  0.00088260  1.00438503  1
  Ni  Ni5  1  0.98233413  0.85933190  0.49121668  1
  H  H6  1  0.53862933  0.17140672  0.41376158  1
  H  H7  1  0.82916127  0.46113640  0.09883946  1
  H  H8  1  0.46137431  0.82858359  0.58624319  1
  H  H9  1  0.17084157  0.53886471  0.90115840  1
  H  H10  1  0.33634499  0.16163800  0.51621773  1
  H  H11  1  0.84220325  0.66202008  0.99639952  1
  H  H12  1  0.66365432  0.83835839  0.48378445  1
  H  H13  1  0.15780548  0.33797740  0.00359815  1
  H  H14  1  0.42243961  0.07559985  0.06367390  1
  H  H15  1  0.92392809  0.57859681  0.44907168  1
  H  H16  1  0.57756411  0.92439411  0.93632930  1
  H  H17  1  0.07606250  0.42140901  0.55092849  1
  H  H18  1  0.89552845  0.21582722  0.03468684  1
  H  H19  1  0.79540676  0.12304285  0.47977152  1
  H  H20  1  0.10447274  0.78417283  0.96530792  1
  H  H21  1  0.20459078  0.87696142  0.52022634  1
  C  C22  1  0.61994315  0.11911488  0.17392367  1
  C  C23  1  0.87931730  0.37888781  0.33508677  1
  C  C24  1  0.38005948  0.88087831  0.82607970  1
  C  C25  1  0.12067792  0.62111589  0.66491162  1
  C  C26  1  0.49414119  0.12245128  0.23283901  1
  C  C27  1  0.87964699  0.50504215  0.27916231  1
  C  C28  1  0.50586104  0.87754203  0.76716371  1
  C  C29  1  0.12035080  0.49496088  0.72083665  1
  C  C30  1  0.46793586  0.14913480  0.36016639  1
  C  C31  1  0.85340099  0.53072346  0.15217888  1
  C  C32  1  0.53206705  0.85085842  0.63983697  1
  C  C33  1  0.14660147  0.46927760  0.84781878  1
  C  C34  1  0.35631117  0.14353275  0.41848260  1
  C  C35  1  0.86053714  0.64128655  0.09385638  1
  C  C36  1  0.64368931  0.85646359  0.58151930  1
  C  C37  1  0.13946899  0.35871182  0.90614156  1
  C  C38  1  0.27123660  0.10966131  0.34723680  1
  C  C39  1  0.89468017  0.72562667  0.16572346  1
  C  C40  1  0.72876134  0.89033942  0.65276419  1
  C  C41  1  0.10532597  0.27437145  0.83427533  1
  C  C42  1  0.29839047  0.08245530  0.22155209  1
  C  C43  1  0.91892354  0.70210778  0.29193133  1
  C  C44  1  0.70160828  0.91754461  0.77844941  1
  C  C45  1  0.08107714  0.29789311  0.70806832  1
  C  C46  1  0.40633849  0.09326925  0.16152130  1
  C  C47  1  0.90857290  0.59329066  0.35096072  1
  C  C48  1  0.59366314  0.90672591  0.83848154  1
  C  C49  1  0.09142291  0.40671231  0.64903902  1
  N  N50  1  0.16251429  0.08232293  0.37543122  1
  N  N51  1  0.91986387  0.83413046  0.13455863  1
  N  N52  1  0.83748022  0.91768277  0.62456796  1
  N  N53  1  0.08014304  0.16586760  0.86543980  1
  N  N54  1  0.13113537  0.03387189  0.27559244  1
  N  N55  1  0.96077793  0.87368582  0.23351426  1
  N  N56  1  0.86885864  0.96613538  0.72440638  1
  N  N57  1  0.03922628  0.12631358  0.76648470  1
  N  N58  1  0.20973203  0.03517054  0.18180032  1
  N  N59  1  0.95747428  0.79931510  0.33083978  1
  N  N60  1  0.79026383  0.96483421  0.81819881  1
  N  N61  1  0.04252458  0.20068743  0.66915971  1
  O  O62  1  0.93549746  0.12152919  0.06376903  1
  O  O63  1  0.88627375  0.07438904  0.44336289  1
  O  O64  1  0.06450272  0.87847160  0.93622745  1
  O  O65  1  0.11372368  0.92561405  0.55663555  1
  O  O66  1  0.69079501  0.15632106  0.24012777  1
  O  O67  1  0.83449605  0.31598969  0.26622023  1
  O  O68  1  0.30920461  0.84367507  0.75987342  1
  O  O69  1  0.16549814  0.68401597  0.73377866  1
  O  O70  1  0.64913369  0.07575167  0.06381222  1
  O  O71  1  0.92573645  0.34276288  0.44266974  1
  O  O72  1  0.35087060  0.92423827  0.93619130  1
  O  O73  1  0.07425921  0.65723977  0.55732963  1
