# generated using pymatgen
data_Mn2VNi2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35209825
_cell_length_b   9.70413767
_cell_length_c   13.63682842
_cell_angle_alpha   103.44244055
_cell_angle_beta   90.00001483
_cell_angle_gamma   90.00011000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VNi2H32C12(NO2)6
_chemical_formula_sum   'Mn4 V2 Ni4 H64 C24 N12 O24'
_cell_volume   1203.69211195
_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  0.09324776  0.86740144  0.73489544  1
  Mn  Mn1  1  0.59325452  0.63258858  0.76509918  1
  Mn  Mn2  1  0.90673322  0.13259590  0.26510740  1
  Mn  Mn3  1  0.40672994  0.36742067  0.23490054  1
  Ni  Ni4  1  0.94392314  0.55183499  0.72870902  1
  Ni  Ni5  1  0.44392324  0.94815109  0.77128855  1
  Ni  Ni6  1  0.05604954  0.44819334  0.27130932  1
  Ni  Ni7  1  0.55605040  0.05182932  0.22868990  1
  V  V8  1  0.00000149  0.99998557  0.99999879  1
  V  V9  1  0.50000267  0.50001133  0.50000130  1
  H  H10  1  0.19734976  0.19809492  0.08969494  1
  H  H11  1  0.69733881  0.30190052  0.41029589  1
  H  H12  1  0.80266326  0.80190424  0.91028952  1
  H  H13  1  0.30267787  0.69810039  0.58971841  1
  H  H14  1  0.28191069  0.10158506  0.98708832  1
  H  H15  1  0.78190591  0.39841623  0.51290987  1
  H  H16  1  0.71810025  0.89842209  0.01292078  1
  H  H17  1  0.21810432  0.60158028  0.48708455  1
  H  H18  1  0.58356923  0.38210499  0.86631384  1
  H  H19  1  0.08356748  0.11788774  0.63368500  1
  H  H20  1  0.41643152  0.61788786  0.13367524  1
  H  H21  1  0.91643011  0.88212067  0.36632619  1
  H  H22  1  0.47260938  0.16587051  0.89386190  1
  H  H23  1  -0.02739890  0.33411061  0.60613439  1
  H  H24  1  0.52739097  0.83409301  0.10610443  1
  H  H25  1  1.02739451  0.66592623  0.39390059  1
  H  H26  1  0.75739048  0.03180536  0.85258682  1
  H  H27  1  0.25739333  0.46818706  0.64741135  1
  H  H28  1  0.24259808  0.96819046  0.14740231  1
  H  H29  1  0.74260085  0.53181316  0.35259581  1
  H  H30  1  0.91149886  0.08504579  0.79428294  1
  H  H31  1  0.41150376  0.41494790  0.70571574  1
  H  H32  1  0.08848575  0.91493435  0.20569902  1
  H  H33  1  0.58848187  0.58506583  0.29430032  1
  H  H34  1  0.20889428  0.33137174  0.96913953  1
  H  H35  1  0.70889245  0.16861697  0.53084940  1
  H  H36  1  0.79113026  0.66860580  0.03083544  1
  H  H37  1  0.29113638  0.83140958  0.46917798  1
  H  H38  1  0.16887194  0.17963259  0.87337481  1
  H  H39  1  0.66890090  0.32036031  0.62661451  1
  H  H40  1  0.83108685  0.82036141  0.12659876  1
  H  H41  1  0.33106059  0.67965238  0.37340980  1
  H  H42  1  0.58417903  0.36488382  0.04303709  1
  H  H43  1  0.08418025  0.13510551  0.45696271  1
  H  H44  1  0.41583575  0.63509831  0.95696139  1
  H  H45  1  0.91583386  0.86491140  0.54303578  1
  H  H46  1  0.74149618  0.44057127  0.00901837  1
  H  H47  1  0.24149732  0.05942338  0.49098373  1
  H  H48  1  0.25850691  0.55942396  0.99097509  1
  H  H49  1  0.75850426  0.94058049  0.50902198  1
  H  H50  1  0.80065160  0.26174818  0.10137715  1
  H  H51  1  0.30065031  0.23824867  0.39862176  1
  H  H52  1  0.19937614  0.73824945  0.89860149  1
  H  H53  1  0.69937252  0.76175745  0.60139638  1
  H  H54  1  0.69309024  0.13211889  0.02285861  1
  H  H55  1  0.19309205  0.36787693  0.47714381  1
  H  H56  1  0.30693012  0.86787671  0.97712968  1
  H  H57  1  0.80692779  0.63212787  0.52286928  1
  H  H58  1  0.81244539  0.31941991  0.79992903  1
  H  H59  1  0.31244145  0.18057742  0.70007410  1
  H  H60  1  0.18756557  0.68058954  0.20007139  1
  H  H61  1  0.68756089  0.81941214  0.29992745  1
  H  H62  1  0.68612187  0.18552734  0.74741565  1
  H  H63  1  0.18611458  0.31447012  0.75258477  1
  H  H64  1  0.31389411  0.81447256  0.25257614  1
  H  H65  1  0.81389351  0.68553644  0.24742004  1
  H  H66  1  0.96930157  0.42458144  0.10623391  1
  H  H67  1  0.46928738  0.07539420  0.39379167  1
  H  H68  1  0.03076871  0.57537862  0.89383132  1
  H  H69  1  0.53075540  0.92461454  0.60614940  1
  H  H70  1  0.96684009  0.37287173  0.92916385  1
  H  H71  1  0.46684904  0.12713475  0.57085188  1
  H  H72  1  0.03317236  0.62716941  0.07085410  1
  H  H73  1  0.53316710  0.87282935  0.42913890  1
  C  C74  1  0.82588060  0.12234155  0.85004437  1
  C  C75  1  0.32588253  0.37765186  0.64995655  1
  C  C76  1  0.17410530  0.87765932  0.14994998  1
  C  C77  1  0.67410855  0.62234321  0.35004858  1
  C  C78  1  0.14263039  0.23524715  0.95138646  1
  C  C79  1  0.64263237  0.26474600  0.54860937  1
  C  C80  1  0.85738117  0.76474254  0.04860194  1
  C  C81  1  0.35738039  0.73526446  0.45140277  1
  C  C82  1  0.67783453  0.34170655  0.99366343  1
  C  C83  1  0.17783378  0.15828703  0.50633647  1
  C  C84  1  0.32217015  0.65828866  0.00632972  1
  C  C85  1  0.82216754  0.84171696  0.49366831  1
  C  C86  1  0.76106355  0.22424591  0.02448799  1
  C  C87  1  0.26106396  0.27574834  0.47551215  1
  C  C88  1  0.23895096  0.77575196  0.97549771  1
  C  C89  1  0.73894894  0.72425246  0.52450036  1
  C  C90  1  0.74068826  0.23756648  0.81747056  1
  C  C91  1  0.24068469  0.26242956  0.68253158  1
  C  C92  1  0.25931666  0.76243528  0.18252501  1
  C  C93  1  0.75931545  0.73756809  0.31747251  1
  C  C94  1  0.99210683  0.27764233  0.95814804  1
  C  C95  1  0.49211111  0.22234462  0.54184542  1
  C  C96  1  0.00790147  0.72233486  0.04180425  1
  C  C97  1  0.50790023  0.77767505  0.45819940  1
  N  N98  1  0.88352420  0.17484247  0.95465959  1
  N  N99  1  0.38352660  0.32515414  0.54534146  1
  N  N100  1  0.11648124  0.82515878  0.04532709  1
  N  N101  1  0.61647949  0.67484409  0.45466890  1
  N  N102  1  0.18137271  0.13891733  0.01680932  1
  N  N103  1  0.68136948  0.36107704  0.48318571  1
  N  N104  1  0.81863208  0.86107928  0.98318444  1
  N  N105  1  0.31863482  0.63892568  0.51682003  1
  N  N106  1  0.63166975  0.29904995  0.89006858  1
  N  N107  1  0.13166932  0.20094283  0.60993081  1
  N  N108  1  0.36832536  0.70093817  0.10992193  1
  N  N109  1  0.86832327  0.79906692  0.39007702  1
  O  O110  1  0.05162907  0.92048516  0.87247211  1
  O  O111  1  0.55164311  0.57951487  0.62752694  1
  O  O112  1  0.94837881  0.07950265  0.12752464  1
  O  O113  1  0.44836658  0.42049381  0.37247812  1
  O  O114  1  0.00957229  0.99554518  0.69216813  1
  O  O115  1  0.50957694  0.50444835  0.80782562  1
  O  O116  1  0.99040148  0.00446504  0.30785610  1
  O  O117  1  0.49040990  0.49555340  0.19216442  1
  O  O118  1  0.89607220  0.40603147  0.61409821  1
  O  O119  1  0.39607511  0.09395446  0.88590324  1
  O  O120  1  0.10391742  0.59399294  0.38590463  1
  O  O121  1  0.60390886  0.90602912  0.11408823  1
  O  O122  1  0.03531766  0.70033809  0.67917112  1
  O  O123  1  0.53533299  0.79965773  0.82082280  1
  O  O124  1  0.96464483  0.29965629  0.32084515  1
  O  O125  1  0.46462810  0.20035170  0.17916402  1
  O  O126  1  0.27379546  0.85195003  0.70969240  1
  O  O127  1  0.77379660  0.64803346  0.79031306  1
  O  O128  1  0.72617464  0.14802800  0.29028602  1
  O  O129  1  0.22617738  0.35200129  0.20970774  1
  O  O130  1  0.03722626  0.49294979  0.83673963  1
  O  O131  1  0.53721663  1.00703971  0.66325008  1
  O  O132  1  0.96273015  0.50702574  0.16328748  1
  O  O133  1  0.46274293  -0.00702700  0.33671599  1
