# generated using pymatgen
data_Mn2V2CrH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37189140
_cell_length_b   9.72042162
_cell_length_c   13.66316282
_cell_angle_alpha   103.37064345
_cell_angle_beta   90.00001114
_cell_angle_gamma   90.00013469
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2V2CrH32C12(NO2)6
_chemical_formula_sum   'Mn4 V4 Cr2 H64 C24 N12 O24'
_cell_volume   1210.95871776
_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  0.09942096  0.85971800  0.73335336  1
  Mn  Mn1  1  0.59942351  0.64027565  0.76664538  1
  Mn  Mn2  1  0.90057694  0.14028342  0.26664450  1
  Mn  Mn3  1  0.40057395  0.35972465  0.23335734  1
  V  V4  1  0.95284492  0.56602098  0.71713543  1
  V  V5  1  0.45284342  0.93397191  0.78286451  1
  V  V6  1  0.04715489  0.43398141  0.28286525  1
  V  V7  1  0.54715487  0.06602506  0.21713365  1
  Cr  Cr8  1  0.00000183  0.99999904  1.00000019  1
  Cr  Cr9  1  0.50000172  0.50000219  0.50000105  1
  H  H10  1  0.19307602  0.19863114  0.09385332  1
  H  H11  1  0.69307323  0.30136754  0.40614299  1
  H  H12  1  0.80692789  0.80137115  0.90615222  1
  H  H13  1  0.30693044  0.69863484  0.59385778  1
  H  H14  1  0.27270719  0.09967241  0.99239524  1
  H  H15  1  0.77270445  0.40032622  0.50760220  1
  H  H16  1  0.72729033  0.90032895  0.00760729  1
  H  H17  1  0.22729902  0.59967537  0.49239920  1
  H  H18  1  0.53213820  0.45518999  0.85066703  1
  H  H19  1  0.03213622  0.04479988  0.64932714  1
  H  H20  1  0.46785814  0.54481726  0.14934221  1
  H  H21  1  0.96786144  0.95519653  0.35066599  1
  H  H22  1  0.54211657  0.22256964  0.88712124  1
  H  H23  1  0.04211222  0.27742425  0.61287650  1
  H  H24  1  0.45788556  0.77742836  0.11287545  1
  H  H25  1  0.95788803  0.72257990  0.38712697  1
  H  H26  1  0.77270465  0.03451595  0.85189201  1
  H  H27  1  0.27270241  0.46547975  0.64810784  1
  H  H28  1  0.22729408  0.96548483  0.14810441  1
  H  H29  1  0.72729878  0.53452045  0.35189640  1
  H  H30  1  0.92379038  0.10867280  0.80652880  1
  H  H31  1  0.42378795  0.39132436  0.69347276  1
  H  H32  1  0.07621084  0.89132715  0.19346924  1
  H  H33  1  0.57621391  0.60867345  0.30652796  1
  H  H34  1  0.21375266  0.33123023  0.96807877  1
  H  H35  1  0.71375192  0.16877012  0.53191987  1
  H  H36  1  0.78624740  0.66876521  0.03192035  1
  H  H37  1  0.28624895  0.83123221  0.46808054  1
  H  H38  1  0.15125823  0.18228991  0.87821402  1
  H  H39  1  0.65125938  0.31770980  0.62178498  1
  H  H40  1  0.84874367  0.81770023  0.12178661  1
  H  H41  1  0.34874238  0.68229517  0.37821540  1
  H  H42  1  0.58583927  0.37144976  0.05256295  1
  H  H43  1  0.08584207  0.12853958  0.44743001  1
  H  H44  1  0.41415862  0.62854153  0.94743042  1
  H  H45  1  0.91415581  0.87146952  0.55257531  1
  H  H46  1  0.74090283  0.43347840  0.00296309  1
  H  H47  1  0.24090725  0.06651990  0.49703699  1
  H  H48  1  0.25909336  0.56652127  0.99703624  1
  H  H49  1  0.75908835  0.93348034  0.50296295  1
  H  H50  1  0.79349261  0.26289137  0.10619889  1
  H  H51  1  0.29349314  0.23710745  0.39379977  1
  H  H52  1  0.20650597  0.73710645  0.89379790  1
  H  H53  1  0.70650646  0.76289435  0.60620294  1
  H  H54  1  0.68953210  0.13149683  0.02587343  1
  H  H55  1  0.18953058  0.36850063  0.47412587  1
  H  H56  1  0.31046762  0.86850146  0.97412370  1
  H  H57  1  0.81047046  0.63150186  0.52587698  1
  H  H58  1  0.80207888  0.32919905  0.81046287  1
  H  H59  1  0.30207849  0.17079629  0.68953466  1
  H  H60  1  0.19791971  0.67080267  0.18953467  1
  H  H61  1  0.69792144  0.82920051  0.31046583  1
  H  H62  1  0.69271535  0.18531349  0.75106289  1
  H  H63  1  0.19271381  0.31468058  0.74893508  1
  H  H64  1  0.30728497  0.81468800  0.24893300  1
  H  H65  1  0.80728768  0.68531656  0.25106849  1
  H  H66  1  0.98031484  0.36100055  0.05556330  1
  H  H67  1  0.48031460  0.13899881  0.44443665  1
  H  H68  1  0.01968489  0.63899587  0.94443551  1
  H  H69  1  0.51968659  0.86100600  0.55556406  1
  H  H70  1  0.96658111  0.36504852  0.92369384  1
  H  H71  1  0.46658055  0.13495092  0.57630596  1
  H  H72  1  0.03342361  0.63494970  0.07630459  1
  H  H73  1  0.53342296  0.86504860  0.42369376  1
  C  C74  1  0.83313118  0.13277468  0.85772438  1
  C  C75  1  0.33312941  0.36722244  0.64227514  1
  C  C76  1  0.16686503  0.86722615  0.14227359  1
  C  C77  1  0.66687062  0.63277583  0.35772768  1
  C  C78  1  0.13936922  0.24156573  0.95645964  1
  C  C79  1  0.63936861  0.25843363  0.54353897  1
  C  C80  1  0.86063074  0.75843144  0.04354188  1
  C  C81  1  0.36063260  0.74156959  0.45646172  1
  C  C82  1  0.67279060  0.33984443  0.99670023  1
  C  C83  1  0.17279152  0.16015126  0.50329742  1
  C  C84  1  0.32720846  0.66015284  0.00329556  1
  C  C85  1  0.82720703  0.83985217  0.49670606  1
  C  C86  1  0.75780395  0.22399481  0.02882263  1
  C  C87  1  0.25780411  0.27600215  0.47117589  1
  C  C88  1  0.24219444  0.77600265  0.97117362  1
  C  C89  1  0.74219564  0.72399992  0.52882709  1
  C  C90  1  0.73754043  0.24061759  0.82376596  1
  C  C91  1  0.23753864  0.25937710  0.67623189  1
  C  C92  1  0.26246006  0.75938298  0.17623046  1
  C  C93  1  0.76246122  0.74062198  0.32377056  1
  C  C94  1  0.98902911  0.29790093  0.97692876  1
  C  C95  1  0.48902825  0.20209788  0.52306978  1
  C  C96  1  0.01097161  0.70209576  0.02306765  1
  C  C97  1  0.51097302  0.79790525  0.47693336  1
  N  N98  1  0.88308166  0.17987857  0.96322239  1
  N  N99  1  0.38308079  0.32012034  0.53677750  1
  N  N100  1  0.11691656  0.82012130  0.03677441  1
  N  N101  1  0.61691824  0.67987994  0.46322530  1
  N  N102  1  0.17684913  0.14396607  0.02036774  1
  N  N103  1  0.67685051  0.35603626  0.47963480  1
  N  N104  1  0.82316073  0.85602314  0.97962339  1
  N  N105  1  0.32315259  0.64396607  0.52036577  1
  N  N106  1  0.62232207  0.29721807  0.89327900  1
  N  N107  1  0.12232502  0.20277387  0.60671654  1
  N  N108  1  0.37767583  0.70278108  0.10671753  1
  N  N109  1  0.87767694  0.79722570  0.39328571  1
  O  O110  1  0.06073030  0.94499009  0.87202439  1
  O  O111  1  0.56073623  0.55501424  0.62797334  1
  O  O112  1  0.93926772  0.05503275  0.12796907  1
  O  O113  1  0.43926106  0.44496795  0.37203388  1
  O  O114  1  -0.02248819  0.96558723  0.66587290  1
  O  O115  1  0.47751143  0.53439421  0.83411175  1
  O  O116  1  1.02248741  0.03439960  0.33411036  1
  O  O117  1  0.52248675  0.46562384  0.16590857  1
  O  O118  1  0.90578472  0.41854030  0.62957971  1
  O  O119  1  0.40578645  0.08145521  0.87041973  1
  O  O120  1  0.09421714  0.58146120  0.37042397  1
  O  O121  1  0.59421336  0.91854456  0.12957742  1
  O  O122  1  0.06092351  0.67485806  0.65629816  1
  O  O123  1  0.56092178  0.82513535  0.84370187  1
  O  O124  1  0.93907372  0.32514290  0.34370038  1
  O  O125  1  0.43907684  0.17486628  0.15629847  1
  O  O126  1  0.29880673  0.82807927  0.73467865  1
  O  O127  1  0.79881029  0.67191715  0.76532473  1
  O  O128  1  0.70119006  0.17191921  0.26532363  1
  O  O129  1  0.20118648  0.32808348  0.23467489  1
  O  O130  1  0.04020767  0.52283501  0.81485177  1
  O  O131  1  0.54020301  0.97715488  0.68514471  1
  O  O132  1  0.95979527  0.47717655  0.18515201  1
  O  O133  1  0.45979327  0.02283513  0.31484916  1
