# generated using pymatgen
data_Mn3V2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36669418
_cell_length_b   9.72912227
_cell_length_c   13.68297631
_cell_angle_alpha   103.45503695
_cell_angle_beta   90.00000721
_cell_angle_gamma   90.00012687
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3V2H32C12(NO2)6
_chemical_formula_sum   'Mn6 V4 H64 C24 N12 O24'
_cell_volume   1212.70110707
_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  0.09615499  0.85862408  0.72984344  1
  V  V1  1  0.59615561  0.64136773  0.77015560  1
  V  V2  1  0.90384432  0.14137578  0.27015615  1
  V  V3  1  0.40384401  0.35863394  0.22984587  1
  Mn  Mn4  1  0.95379601  0.55262118  0.73373884  1
  Mn  Mn5  1  0.45379845  0.94736999  0.76626164  1
  Mn  Mn6  1  0.04620365  0.44737960  0.26626099  1
  Mn  Mn7  1  0.54620098  0.05262943  0.23373762  1
  Mn  Mn8  1  0.00000003  1.00000003  0.99999983  1
  Mn  Mn9  1  0.50000055  0.50000059  0.50000063  1
  H  H10  1  0.19324047  0.20124263  0.08708454  1
  H  H11  1  0.69323674  0.29875988  0.41291422  1
  H  H12  1  0.80676022  0.79875771  0.91291554  1
  H  H13  1  0.30676541  0.70124116  0.58708687  1
  H  H14  1  0.27969336  0.10793881  0.98549158  1
  H  H15  1  0.77969214  0.39206320  0.51450612  1
  H  H16  1  0.72030650  0.89206087  0.01450869  1
  H  H17  1  0.22030879  0.60793789  0.48549550  1
  H  H18  1  0.57677740  0.37921579  0.86827600  1
  H  H19  1  0.07677888  0.12077805  0.63172404  1
  H  H20  1  0.42322187  0.62078421  0.13172448  1
  H  H21  1  0.92321993  0.87922272  0.36827514  1
  H  H22  1  0.49128619  0.15847042  0.88607457  1
  H  H23  1  -0.00871682  0.34152113  0.61392661  1
  H  H24  1  0.50871429  0.84153044  0.11392304  1
  H  H25  1  1.00871951  0.65847824  0.38607531  1
  H  H26  1  0.77366083  0.03968280  0.85229168  1
  H  H27  1  0.27366128  0.46031304  0.64771106  1
  H  H28  1  0.22633865  0.96031726  0.14770719  1
  H  H29  1  0.72633913  0.53968695  0.35229008  1
  H  H30  1  0.92607255  0.11011989  0.80610040  1
  H  H31  1  0.42607345  0.38987517  0.69390077  1
  H  H32  1  0.07392693  0.88988050  0.19389797  1
  H  H33  1  0.57392680  0.61012320  0.30610025  1
  H  H34  1  0.21174162  0.33525147  0.96347781  1
  H  H35  1  0.71174335  0.16475041  0.53651979  1
  H  H36  1  0.78825852  0.66474706  0.03652095  1
  H  H37  1  0.28825739  0.83525009  0.46348042  1
  H  H38  1  0.14611503  0.18866150  0.87340008  1
  H  H39  1  0.64611771  0.31133862  0.62659911  1
  H  H40  1  0.85388456  0.81133637  0.12659951  1
  H  H41  1  0.35388288  0.68866149  0.37340162  1
  H  H42  1  0.57727072  0.36843065  0.04359989  1
  H  H43  1  0.07727549  0.13155946  0.45639746  1
  H  H44  1  0.42272834  0.63156638  0.95639947  1
  H  H45  1  0.92272444  0.86844469  0.54360264  1
  H  H46  1  0.73444557  0.44244613  0.00651317  1
  H  H47  1  0.23445332  0.05755295  0.49349099  1
  H  H48  1  0.26555269  0.55755334  0.99348794  1
  H  H49  1  0.76554565  0.94244856  0.50650874  1
  H  H50  1  0.79273641  0.26925721  0.10426512  1
  H  H51  1  0.29273596  0.23074234  0.39573579  1
  H  H52  1  0.20726406  0.73074079  0.89573365  1
  H  H53  1  0.70726504  0.76926037  0.60426479  1
  H  H54  1  0.69038711  0.13622654  0.02469963  1
  H  H55  1  0.19038580  0.36377035  0.47530244  1
  H  H56  1  0.30961338  0.86377177  0.97529892  1
  H  H57  1  0.80961612  0.63623248  0.52469874  1
  H  H58  1  0.80640510  0.33064166  0.80438198  1
  H  H59  1  0.30640655  0.16935292  0.69561756  1
  H  H60  1  0.19359327  0.66935870  0.19561706  1
  H  H61  1  0.69359257  0.83064558  0.30438185  1
  H  H62  1  0.69351517  0.18718660  0.74893004  1
  H  H63  1  0.19351805  0.31280721  0.75107113  1
  H  H64  1  0.30648265  0.81281408  0.25106957  1
  H  H65  1  0.80648149  0.68719152  0.24892926  1
  H  H66  1  0.98105476  0.36551661  0.05520522  1
  H  H67  1  0.48105538  0.13448253  0.44479434  1
  H  H68  1  0.01894491  0.63448105  0.94479371  1
  H  H69  1  0.51894505  0.86552016  0.55520685  1
  H  H70  1  0.96820050  0.37285662  0.92457658  1
  H  H71  1  0.46820272  0.12714193  0.57542309  1
  H  H72  1  0.03179997  0.62714349  0.07542287  1
  H  H73  1  0.53179822  0.87285800  0.42457767  1
  C  C74  1  0.83464914  0.13730625  0.85656337  1
  C  C75  1  0.33465009  0.36268962  0.64343788  1
  C  C76  1  0.16535017  0.86269370  0.14343537  1
  C  C77  1  0.66535005  0.63731019  0.35656328  1
  C  C78  1  0.13806470  0.24490112  0.95244000  1
  C  C79  1  0.63806536  0.25509943  0.54755904  1
  C  C80  1  0.86193530  0.75509776  0.04755943  1
  C  C81  1  0.36193537  0.74490107  0.45244166  1
  C  C82  1  0.67111592  0.34404739  0.99437799  1
  C  C83  1  0.17111800  0.15594785  0.50562252  1
  C  C84  1  0.32888370  0.65595141  0.00562189  1
  C  C85  1  0.82888218  0.84405438  0.49437741  1
  C  C86  1  0.75671632  0.22961881  0.02699181  1
  C  C87  1  0.25671619  0.27037872  0.47300932  1
  C  C88  1  0.24328384  0.77037943  0.97300693  1
  C  C89  1  0.74328511  0.72962358  0.52699144  1
  C  C90  1  0.74109862  0.24390526  0.82035246  1
  C  C91  1  0.24109954  0.25608931  0.67964783  1
  C  C92  1  0.25890037  0.75609476  0.17964683  1
  C  C93  1  0.75890020  0.74391026  0.32035255  1
  C  C94  1  0.98856651  0.30288434  0.97619526  1
  C  C95  1  0.48856740  0.19711484  0.52380460  1
  C  C96  1  0.01143349  0.69711473  0.02380370  1
  C  C97  1  0.51143311  0.80288578  0.47619639  1
  N  N98  1  0.88153975  0.18784652  0.96157564  1
  N  N99  1  0.38154000  0.31215175  0.53842519  1
  N  N100  1  0.11846015  0.81215271  0.03842284  1
  N  N101  1  0.61846081  0.68784926  0.46157603  1
  N  N102  1  0.18096792  0.14622521  0.01358635  1
  N  N103  1  0.68096604  0.35377677  0.48641284  1
  N  N104  1  0.81903261  0.85377415  0.98641340  1
  N  N105  1  0.31903479  0.64622379  0.51358781  1
  N  N106  1  0.62649844  0.29638089  0.89053629  1
  N  N107  1  0.12649822  0.20361411  0.60946414  1
  N  N108  1  0.37350146  0.70361896  0.10946353  1
  N  N109  1  0.87350165  0.79638675  0.39053593  1
  O  O110  1  0.05106486  0.90558336  0.85731995  1
  O  O111  1  0.55106804  0.59441394  0.64267843  1
  O  O112  1  0.94893366  0.09441661  0.14267939  1
  O  O113  1  0.44893115  0.40558633  0.35732334  1
  O  O114  1  0.01959480  0.97267424  0.66909590  1
  O  O115  1  0.51959130  0.52731316  0.83089753  1
  O  O116  1  0.98040620  0.02732589  0.33090272  1
  O  O117  1  0.48040919  0.47268956  0.16910599  1
  O  O118  1  0.91981054  0.41852319  0.61785124  1
  O  O119  1  0.41981466  0.08146777  0.88215100  1
  O  O120  1  0.08018998  0.58147373  0.38215020  1
  O  O121  1  0.58018339  0.91853527  0.11784660  1
  O  O122  1  0.03842097  0.68674050  0.67153885  1
  O  O123  1  0.53842281  0.81325025  0.82846166  1
  O  O124  1  0.96157598  0.31326042  0.32846057  1
  O  O125  1  0.46157699  0.18675155  0.17153940  1
  O  O126  1  0.28380019  0.85259666  0.71067564  1
  O  O127  1  0.78380040  0.64739448  0.78932621  1
  O  O128  1  0.71619926  0.14740133  0.28932522  1
  O  O129  1  0.21619935  0.35260670  0.21067352  1
  O  O130  1  0.03558371  0.51403661  0.83718697  1
  O  O131  1  0.53557620  0.98595974  0.66281055  1
  O  O132  1  0.96441608  0.48596683  0.16281372  1
  O  O133  1  0.46442136  0.01403498  0.33718608  1
