# generated using pymatgen
data_Mn2V2NiH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35965438
_cell_length_b   9.70893130
_cell_length_c   13.66978820
_cell_angle_alpha   103.34281557
_cell_angle_beta   90.00002229
_cell_angle_gamma   90.00012670
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2V2NiH32C12(NO2)6
_chemical_formula_sum   'Mn4 V4 Ni2 H64 C24 N12 O24'
_cell_volume   1208.67308910
_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  0.10235805  0.86885344  0.73653633  1
  Mn  Mn1  1  0.60235989  0.63113933  0.76346267  1
  Mn  Mn2  1  0.89763870  0.13114555  0.26346126  1
  Mn  Mn3  1  0.39763679  0.36886228  0.23653968  1
  V  V4  1  0.95647446  0.56375949  0.72383706  1
  V  V5  1  0.45647566  0.93623249  0.77616331  1
  V  V6  1  0.04352433  0.43624252  0.27616334  1
  V  V7  1  0.54352198  0.06376571  0.22383614  1
  Ni  Ni8  1  0.00000026  0.99999950  0.99999941  1
  Ni  Ni9  1  0.50000071  0.50000069  0.50000041  1
  H  H10  1  0.19064566  0.19305742  0.08910054  1
  H  H11  1  0.69064380  0.30694196  0.41089814  1
  H  H12  1  0.80935486  0.80694204  0.91089824  1
  H  H13  1  0.30935829  0.69305948  0.58910334  1
  H  H14  1  0.27705553  0.09792217  0.98884952  1
  H  H15  1  0.77705477  0.40207770  0.51114876  1
  H  H16  1  0.72294456  0.90207680  0.01114910  1
  H  H17  1  0.22294693  0.59792226  0.48885317  1
  H  H18  1  0.56106979  0.44562859  0.85782931  1
  H  H19  1  0.06106912  0.05436253  0.64216803  1
  H  H20  1  0.43892958  0.55437459  0.14217746  1
  H  H21  1  0.93892995  0.94563671  0.35782843  1
  H  H22  1  0.54680588  0.21899588  0.88404737  1
  H  H23  1  0.04680461  0.28099549  0.61595487  1
  H  H24  1  0.45319239  0.78100336  0.11595260  1
  H  H25  1  0.95319519  0.71900563  0.38404508  1
  H  H26  1  0.77793547  0.03281792  0.85063995  1
  H  H27  1  0.27793515  0.46717683  0.64936209  1
  H  H28  1  0.22206336  0.96718298  0.14935788  1
  H  H29  1  0.72206576  0.53282232  0.35063999  1
  H  H30  1  0.92899908  0.10823149  0.80681162  1
  H  H31  1  0.42899829  0.39176386  0.69319107  1
  H  H32  1  0.07099982  0.89177003  0.19318701  1
  H  H33  1  0.57100288  0.60823364  0.30680938  1
  H  H34  1  0.21475129  0.32982359  0.96733240  1
  H  H35  1  0.71475171  0.17017570  0.53266544  1
  H  H36  1  0.78524867  0.67017550  0.03266612  1
  H  H37  1  0.28524854  0.82982431  0.46733543  1
  H  H38  1  0.15156345  0.18433677  0.87512115  1
  H  H39  1  0.65156506  0.31566136  0.62487790  1
  H  H40  1  0.84843644  0.81566194  0.12487781  1
  H  H41  1  0.34843493  0.68433791  0.37512324  1
  H  H42  1  0.58229576  0.36640276  0.04710449  1
  H  H43  1  0.08229330  0.13359203  0.45289465  1
  H  H44  1  0.41770542  0.63359422  0.95289539  1
  H  H45  1  0.91770661  0.86641146  0.54710520  1
  H  H46  1  0.74005437  0.43183593  0.00290238  1
  H  H47  1  0.24005315  0.06816012  0.49709688  1
  H  H48  1  0.25994507  0.56816396  0.99709775  1
  H  H49  1  0.75994607  0.93184060  0.50290224  1
  H  H50  1  0.79381206  0.25771609  0.10451826  1
  H  H51  1  0.29381028  0.24228281  0.39548371  1
  H  H52  1  0.20618859  0.74228176  0.89548101  1
  H  H53  1  0.70619077  0.75771944  0.60451706  1
  H  H54  1  0.69189567  0.12674127  0.02285186  1
  H  H55  1  0.19189504  0.37325680  0.47715178  1
  H  H56  1  0.30810483  0.87325784  0.97714694  1
  H  H57  1  0.80810627  0.62674533  0.52284901  1
  H  H58  1  0.80745293  0.33021762  0.81145404  1
  H  H59  1  0.30745341  0.16977744  0.68854778  1
  H  H60  1  0.19254546  0.66978488  0.18854647  1
  H  H61  1  0.69254588  0.83021941  0.31145075  1
  H  H62  1  0.70016429  0.18547107  0.74900935  1
  H  H63  1  0.20016369  0.31452218  0.75099175  1
  H  H64  1  0.29983444  0.81453170  0.25098970  1
  H  H65  1  0.79983659  0.68547447  0.24900868  1
  H  H66  1  0.98258915  0.35541454  0.05616528  1
  H  H67  1  0.48258770  0.14458377  0.44383500  1
  H  H68  1  0.01741124  0.64458352  0.94383443  1
  H  H69  1  0.51741300  0.85541774  0.55616467  1
  H  H70  1  0.96834306  0.36673733  0.92661174  1
  H  H71  1  0.46834535  0.13325969  0.57338873  1
  H  H72  1  0.03165700  0.63326333  0.07338869  1
  H  H73  1  0.53165473  0.86673866  0.42660993  1
  C  C74  1  0.83748263  0.13177232  0.85711174  1
  C  C75  1  0.33748210  0.36822249  0.64289021  1
  C  C76  1  0.16251632  0.86822857  0.14288673  1
  C  C77  1  0.66251828  0.63177615  0.35711085  1
  C  C78  1  0.14105041  0.23914603  0.95433618  1
  C  C79  1  0.64105067  0.26085293  0.54566279  1
  C  C80  1  0.85894949  0.76085314  0.04566269  1
  C  C81  1  0.35894975  0.73914717  0.45433812  1
  C  C82  1  0.67335701  0.33671653  0.99508130  1
  C  C83  1  0.17335492  0.16327894  0.50491869  1
  C  C84  1  0.32664360  0.66328254  0.00491835  1
  C  C85  1  0.82664538  0.83672256  0.49508104  1
  C  C86  1  0.75883171  0.22051211  0.02692110  1
  C  C87  1  0.25883042  0.27948527  0.47308103  1
  C  C88  1  0.24116891  0.77948689  0.97307809  1
  C  C89  1  0.74117019  0.72051633  0.52691961  1
  C  C90  1  0.74330712  0.23985239  0.82230716  1
  C  C91  1  0.24330661  0.26014145  0.67769397  1
  C  C92  1  0.25669154  0.76014910  0.17769233  1
  C  C93  1  0.75669329  0.73985667  0.32230589  1
  C  C94  1  0.99070597  0.29549719  0.97710158  1
  C  C95  1  0.49070592  0.20450053  0.52289886  1
  C  C96  1  0.00929418  0.70450209  0.02289784  1
  C  C97  1  0.50929463  0.79549960  0.47710113  1
  N  N98  1  0.88446437  0.17888002  0.96225530  1
  N  N99  1  0.38446346  0.32111650  0.53774664  1
  N  N100  1  0.11553570  0.82111935  0.03774331  1
  N  N101  1  0.61553701  0.67888357  0.46225429  1
  N  N102  1  0.17952966  0.13933412  0.01528529  1
  N  N103  1  0.67952871  0.36066546  0.48471367  1
  N  N104  1  0.82047056  0.86066517  0.98471361  1
  N  N105  1  0.32047279  0.63933528  0.51528778  1
  N  N106  1  0.62670079  0.29435106  0.89087943  1
  N  N107  1  0.12670115  0.20564217  0.60912099  1
  N  N108  1  0.37329772  0.70564833  0.10912054  1
  N  N109  1  0.87329832  0.79435835  0.39087861  1
  O  O110  1  0.05131228  0.91140660  0.86189494  1
  O  O111  1  0.55131919  0.58859495  0.63810340  1
  O  O112  1  0.94869022  0.08859289  0.13810359  1
  O  O113  1  0.44868170  0.41140795  0.36189771  1
  O  O114  1  0.01183704  0.96703153  0.65323694  1
  O  O115  1  0.51183445  0.53295559  0.84675665  1
  O  O116  1  0.98816342  0.03296585  0.34675793  1
  O  O117  1  0.48817067  0.46705346  0.15325460  1
  O  O118  1  0.91438661  0.42315954  0.62902379  1
  O  O119  1  0.41439130  0.07683183  0.87097800  1
  O  O120  1  0.08561313  0.57683903  0.37097899  1
  O  O121  1  0.58560752  0.92316899  0.12901976  1
  O  O122  1  0.05039848  0.68968376  0.66814589  1
  O  O123  1  0.55040318  0.81030967  0.83185335  1
  O  O124  1  0.94959692  0.31031718  0.33185096  1
  O  O125  1  0.44959573  0.18969169  0.16814858  1
  O  O126  1  0.29768338  0.85112443  0.71360579  1
  O  O127  1  0.79768414  0.64886684  0.78639735  1
  O  O128  1  0.70231411  0.14887263  0.28639445  1
  O  O129  1  0.20231425  0.35113395  0.21360272  1
  O  O130  1  0.05717192  0.51290611  0.81170043  1
  O  O131  1  0.55717032  0.98708599  0.68829841  1
  O  O132  1  0.94283084  0.48710083  0.18830009  1
  O  O133  1  0.44282932  0.01290894  0.31170074  1
