# generated using pymatgen
data_Mn2V3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.39000383
_cell_length_b   9.74719621
_cell_length_c   13.69745792
_cell_angle_alpha   103.48825110
_cell_angle_beta   89.99998925
_cell_angle_gamma   90.00015450
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2V3H32C12(NO2)6
_chemical_formula_sum   'Mn4 V6 H64 C24 N12 O24'
_cell_volume   1219.09721502
_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
  V  V0  1  0.09472352  0.86962371  0.73263250  1
  V  V1  1  0.59474195  0.63036952  0.76736765  1
  V  V2  1  0.90526493  0.13037183  0.26736988  1
  V  V3  1  0.40527184  0.36961056  0.23262921  1
  Mn  Mn4  1  0.95497596  0.53787539  0.72504968  1
  Mn  Mn5  1  0.45495357  0.96211685  0.77495374  1
  Mn  Mn6  1  0.04504581  0.46211947  0.27493931  1
  Mn  Mn7  1  0.54504486  0.03786492  0.22505257  1
  V  V8  1  -0.00000322  1.00000142  1.00000132  1
  V  V9  1  0.49999810  0.49999864  0.49999869  1
  H  H10  1  0.19287136  0.19893616  0.08819484  1
  H  H11  1  0.69287670  0.30108021  0.41180559  1
  H  H12  1  0.80712465  0.80107880  0.91180454  1
  H  H13  1  0.30712825  0.69891021  0.58819658  1
  H  H14  1  0.28003819  0.10213302  0.98733419  1
  H  H15  1  0.78004057  0.39787628  0.51266864  1
  H  H16  1  0.71995754  0.89786823  0.01266963  1
  H  H17  1  0.21995397  0.60213447  0.48732454  1
  H  H18  1  0.57183704  0.37297508  0.87107614  1
  H  H19  1  0.07184607  0.12701784  0.62892505  1
  H  H20  1  0.42815238  0.62702361  0.12892398  1
  H  H21  1  0.92814306  0.87298615  0.37107436  1
  H  H22  1  0.47736271  0.16323820  0.90851698  1
  H  H23  1  -0.02266394  0.33673753  0.59145916  1
  H  H24  1  0.52265486  0.83674450  0.09147052  1
  H  H25  1  1.02267763  0.66329335  0.40853992  1
  H  H26  1  0.75470941  0.02828492  0.85319253  1
  H  H27  1  0.25471158  0.47171308  0.64681000  1
  H  H28  1  0.24528459  0.97172166  0.14680906  1
  H  H29  1  0.74528382  0.52828404  0.35319547  1
  H  H30  1  0.90500522  0.08730420  0.79601463  1
  H  H31  1  0.40500155  0.41270175  0.70399338  1
  H  H32  1  0.09499720  0.91270398  0.20399386  1
  H  H33  1  0.59499433  0.58729399  0.29600613  1
  H  H34  1  0.20484114  0.33017312  0.96742457  1
  H  H35  1  0.70486162  0.16984707  0.53258946  1
  H  H36  1  0.79514530  0.66984025  0.03258869  1
  H  H37  1  0.29513303  0.83014881  0.46740876  1
  H  H38  1  0.16521484  0.17792152  0.87257257  1
  H  H39  1  0.66518467  0.32210165  0.62743108  1
  H  H40  1  0.83481442  0.82209501  0.12743113  1
  H  H41  1  0.33482822  0.67789682  0.37256904  1
  H  H42  1  0.58755101  0.36731512  0.04667329  1
  H  H43  1  0.08756043  0.13268567  0.45332803  1
  H  H44  1  0.41244136  0.63269402  0.95332868  1
  H  H45  1  0.91243229  0.86731464  0.54667113  1
  H  H46  1  0.74270833  0.43442711  0.00156168  1
  H  H47  1  0.24271094  0.06556863  0.49844395  1
  H  H48  1  0.25729528  0.56557164  0.99844527  1
  H  H49  1  0.75728596  0.93443574  0.50155227  1
  H  H50  1  0.80347564  0.26483424  0.10096774  1
  H  H51  1  0.30347895  0.23517283  0.39903855  1
  H  H52  1  0.19651810  0.73517120  0.89903851  1
  H  H53  1  0.69651434  0.76482989  0.60096043  1
  H  H54  1  0.69417708  0.13203727  0.02713809  1
  H  H55  1  0.19417253  0.36795619  0.47286394  1
  H  H56  1  0.30582572  0.86796024  0.97286117  1
  H  H57  1  0.80582655  0.63204858  0.52713981  1
  H  H58  1  0.80101331  0.31880711  0.80528176  1
  H  H59  1  0.30103178  0.18118440  0.69471054  1
  H  H60  1  0.19898020  0.68119315  0.19471216  1
  H  H61  1  0.69896817  0.81880900  0.30528692  1
  H  H62  1  0.68177304  0.18333940  0.74774810  1
  H  H63  1  0.18178190  0.31664965  0.75225258  1
  H  H64  1  0.31822474  0.81665893  0.25225248  1
  H  H65  1  0.81821915  0.68334167  0.24774869  1
  H  H66  1  0.97342828  0.42124774  0.10155587  1
  H  H67  1  0.47343647  0.07875607  0.39841645  1
  H  H68  1  0.02656672  0.57877225  0.89841905  1
  H  H69  1  0.52656639  0.92124760  0.60159423  1
  H  H70  1  0.96234771  0.36922383  0.92932148  1
  H  H71  1  0.46234824  0.13077398  0.57067536  1
  H  H72  1  0.03765419  0.63077212  0.07067210  1
  H  H73  1  0.53765113  0.86922836  0.42933556  1
  C  C74  1  0.81996671  0.12093089  0.85129595  1
  C  C75  1  0.31997131  0.37906903  0.64870708  1
  C  C76  1  0.18002956  0.87907510  0.14870654  1
  C  C77  1  0.68002472  0.62092643  0.35129305  1
  C  C78  1  0.13954710  0.23398117  0.95031251  1
  C  C79  1  0.63954651  0.26602541  0.54968871  1
  C  C80  1  0.86045532  0.76602210  0.04968834  1
  C  C81  1  0.36045270  0.73397422  0.45031325  1
  C  C82  1  0.67655569  0.33857362  0.99374577  1
  C  C83  1  0.17656501  0.16142535  0.50625856  1
  C  C84  1  0.32343779  0.66143146  0.00625757  1
  C  C85  1  0.82342871  0.83857646  0.49374105  1
  C  C86  1  0.76088489  0.22355100  0.02549085  1
  C  C87  1  0.26089280  0.27645329  0.47451662  1
  C  C88  1  0.23910707  0.77645671  0.97451563  1
  C  C89  1  0.73910224  0.72354706  0.52548305  1
  C  C90  1  0.73155514  0.23378500  0.81965194  1
  C  C91  1  0.23156545  0.26620719  0.68034823  1
  C  C92  1  0.26844129  0.76621794  0.18034822  1
  C  C93  1  0.76843368  0.73378693  0.31965143  1
  C  C94  1  0.98926260  0.27586759  0.95842488  1
  C  C95  1  0.48926958  0.22412465  0.54156501  1
  C  C96  1  0.01073286  0.72412536  0.04156423  1
  C  C97  1  0.51073060  0.77587502  0.45844042  1
  N  N98  1  0.88109157  0.17199170  0.95476135  1
  N  N99  1  0.38109903  0.32801121  0.54524221  1
  N  N100  1  0.11890177  0.82801327  0.04524191  1
  N  N101  1  0.61889746  0.67198474  0.45475741  1
  N  N102  1  0.17837398  0.13895012  0.01618354  1
  N  N103  1  0.67837420  0.36105645  0.48381575  1
  N  N104  1  0.82162425  0.86105381  0.98381769  1
  N  N105  1  0.32162452  0.63893863  0.51618146  1
  N  N106  1  0.62157110  0.29031963  0.89260925  1
  N  N107  1  0.12157793  0.20967559  0.60739302  1
  N  N108  1  0.37842774  0.70968671  0.10739260  1
  N  N109  1  0.87841720  0.79032131  0.39260733  1
  O  O110  1  0.05233463  0.92341582  0.87063513  1
  O  O111  1  0.55234454  0.57658131  0.62936163  1
  O  O112  1  0.94765743  0.07658403  0.12936231  1
  O  O113  1  0.44765169  0.42341801  0.37063683  1
  O  O114  1  0.00518926  0.97621488  0.67290043  1
  O  O115  1  0.50521359  0.52377732  0.82710205  1
  O  O116  1  0.99478773  0.02377002  0.32709474  1
  O  O117  1  0.49478189  0.47622013  0.17289915  1
  O  O118  1  0.90945471  0.41627504  0.59684315  1
  O  O119  1  0.40945516  0.08372628  0.90314888  1
  O  O120  1  0.09056134  0.58375369  0.40314137  1
  O  O121  1  0.59055841  0.91626337  0.09685104  1
  O  O122  1  0.05088837  0.69726411  0.68075664  1
  O  O123  1  0.55089159  0.80272235  0.81924900  1
  O  O124  1  0.94913087  0.30272315  0.31925102  1
  O  O125  1  0.44917035  0.19727020  0.18075516  1
  O  O126  1  0.27400569  0.88093150  0.70803895  1
  O  O127  1  0.77402767  0.61907775  0.79195986  1
  O  O128  1  0.72597924  0.11908852  0.29196931  1
  O  O129  1  0.22598231  0.38084099  0.20801834  1
  O  O130  1  0.05071512  0.50016425  0.84191562  1
  O  O131  1  0.55066569  0.99986165  0.65810565  1
  O  O132  1  0.94930330  0.49986021  0.15807506  1
  O  O133  1  0.44930843  0.00014533  0.34191038  1
