# generated using pymatgen
data_Mn2VH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.95801804
_cell_length_b   10.94358779
_cell_length_c   10.92643212
_cell_angle_alpha   89.16249160
_cell_angle_beta   88.96247534
_cell_angle_gamma   63.42502378
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VH8C14(NO)6
_chemical_formula_sum   'Mn4 V2 H16 C28 N12 O12'
_cell_volume   1171.64148342
_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  0.89918568  0.10484026  0.24839873  1
  Mn  Mn1  1  0.10081305  0.89516240  0.75159944  1
  Mn  Mn2  1  0.85172805  0.99648098  -0.00701498  1
  V  V3  1  0.01359239  0.14412132  0.50194393  1
  Mn  Mn4  1  0.14827296  0.00351790  1.00701488  1
  V  V5  1  0.98640429  0.85588324  0.49805598  1
  H  H6  1  0.54013021  0.17418103  0.41341149  1
  H  H7  1  0.82894414  0.46299472  0.09768924  1
  H  H8  1  0.45987356  0.82580872  0.58659206  1
  H  H9  1  0.17105939  0.53700581  0.90230842  1
  H  H10  1  0.33948807  0.16421509  0.51815378  1
  H  H11  1  0.84267075  0.66402309  0.99750758  1
  H  H12  1  0.66051131  0.83578185  0.48184783  1
  H  H13  1  0.15733828  0.33597461  0.00249001  1
  H  H14  1  0.42372538  0.07302911  0.06558635  1
  H  H15  1  0.92129844  0.57813635  0.45022203  1
  H  H16  1  0.57627728  0.92696516  0.93441579  1
  H  H17  1  0.07869242  0.42186990  0.54977815  1
  H  H18  1  0.89185777  0.21773583  0.02642521  1
  H  H19  1  0.78783034  0.12414743  0.47912260  1
  H  H20  1  0.10814217  0.78226426  0.97357026  1
  H  H21  1  0.21216645  0.87585702  0.52087446  1
  C  C22  1  0.62180683  0.11725655  0.17528437  1
  C  C23  1  0.87649004  0.38119498  0.33449919  1
  C  C24  1  0.37819526  0.88273698  0.82471815  1
  C  C25  1  0.12350638  0.61880879  0.66549969  1
  C  C26  1  0.49596237  0.12116423  0.23392246  1
  C  C27  1  0.87824438  0.50555690  0.27924407  1
  C  C28  1  0.50403980  0.87882951  0.76608017  1
  C  C29  1  0.12175369  0.49444602  0.72075481  1
  C  C30  1  0.47018362  0.14989424  0.36090832  1
  C  C31  1  0.85321164  0.53197337  0.15195642  1
  C  C32  1  0.52981838  0.85009881  0.63909426  1
  C  C33  1  0.14679085  0.46802753  0.84804186  1
  C  C34  1  0.35856125  0.14584980  0.42032794  1
  C  C35  1  0.86083878  0.64271342  0.09485133  1
  C  C36  1  0.64143861  0.85414684  0.57967368  1
  C  C37  1  0.13916701  0.35728580  0.90514667  1
  C  C38  1  0.27240218  0.11345434  0.34935932  1
  C  C39  1  0.89472167  0.72711361  0.16780264  1
  C  C40  1  0.72759596  0.88654600  0.65064122  1
  C  C41  1  0.10528311  0.27288579  0.83219621  1
  C  C42  1  0.29868489  0.08293364  0.22421648  1
  C  C43  1  0.91693082  0.70304232  0.29400995  1
  C  C44  1  0.70131433  0.91706561  0.77578431  1
  C  C45  1  0.08306827  0.29696013  0.70598976  1
  C  C46  1  0.40774746  0.09156745  0.16336070  1
  C  C47  1  0.90688989  0.59375489  0.35212891  1
  C  C48  1  0.59225412  0.90842789  0.83664093  1
  C  C49  1  0.09310576  0.40624928  0.64787073  1
  N  N50  1  0.15901997  0.09425405  0.37793839  1
  N  N51  1  0.91843336  0.83695168  0.13756423  1
  N  N52  1  0.84097561  0.90575020  0.62206097  1
  N  N53  1  0.08157419  0.16304593  0.86243436  1
  N  N54  1  0.12429911  0.04443761  0.27683945  1
  N  N55  1  0.95963376  0.87638368  0.23589925  1
  N  N56  1  0.87569656  0.95556677  0.72315993  1
  N  N57  1  0.04036953  0.12361627  0.76410050  1
  N  N58  1  0.20574732  0.04047979  0.18459089  1
  N  N59  1  0.95263438  0.80253918  0.33459614  1
  N  N60  1  0.79424991  0.95952255  0.81540890  1
  N  N61  1  0.04736389  0.19746370  0.66540393  1
  O  O62  1  0.93192957  0.12443871  0.05797476  1
  O  O63  1  0.88247026  0.07416343  0.45074289  1
  O  O64  1  0.06806999  0.87556214  0.94202257  1
  O  O65  1  0.11752728  0.92584085  0.54925651  1
  O  O66  1  0.69448626  0.15035020  0.24377290  1
  O  O67  1  0.83759093  0.31306083  0.26662803  1
  O  O68  1  0.30551445  0.84964627  0.75622919  1
  O  O69  1  0.16240612  0.68694255  0.73337037  1
  O  O70  1  0.65016380  0.07743087  0.06430389  1
  O  O71  1  0.91696674  0.34777277  0.44578890  1
  O  O72  1  0.34983939  0.92256066  0.93569933  1
  O  O73  1  0.08302847  0.65223129  0.55421035  1
