# generated using pymatgen
data_MnV2Fe2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36933338
_cell_length_b   9.73069546
_cell_length_c   13.66539051
_cell_angle_alpha   103.50792515
_cell_angle_beta   90.00002229
_cell_angle_gamma   90.00014249
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2Fe2H32C12(NO2)6
_chemical_formula_sum   'Mn2 V4 Fe4 H64 C24 N12 O24'
_cell_volume   1211.41154730
_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
  Fe  Fe0  1  0.09205284  0.85782746  0.73157876  1
  Fe  Fe1  1  0.59205184  0.64216139  0.76842165  1
  Fe  Fe2  1  0.90794696  0.14217144  0.26842033  1
  Fe  Fe3  1  0.40794684  0.35783902  0.23157962  1
  V  V4  1  0.94577514  0.54673319  0.72966129  1
  V  V5  1  0.44577670  0.95325881  0.77034090  1
  V  V6  1  0.05422393  0.45326697  0.27033855  1
  V  V7  1  0.55422291  0.04674172  0.22965885  1
  Mn  Mn8  1  -0.00000017  0.99999981  0.99999959  1
  Mn  Mn9  1  0.49999603  0.49999318  0.50000198  1
  H  H10  1  0.18482691  0.19501002  0.08962298  1
  H  H11  1  0.68482751  0.30499033  0.41037501  1
  H  H12  1  0.81517264  0.80498953  0.91037735  1
  H  H13  1  0.31517904  0.69501302  0.58962457  1
  H  H14  1  0.27008795  0.09671784  0.98912561  1
  H  H15  1  0.77008719  0.40328231  0.51087266  1
  H  H16  1  0.72990926  0.90328310  0.01087431  1
  H  H17  1  0.22991118  0.59671721  0.48913009  1
  H  H18  1  0.53255018  0.45958658  0.86956420  1
  H  H19  1  0.03254823  0.04039848  0.63042152  1
  H  H20  1  0.46744765  0.54041850  0.13044199  1
  H  H21  1  0.96744958  0.95960155  0.36957633  1
  H  H22  1  0.53601124  0.22378663  0.89241283  1
  H  H23  1  0.03600984  0.27620369  0.60758342  1
  H  H24  1  0.46398744  0.77621465  0.10758605  1
  H  H25  1  0.96399100  0.72379639  0.39241766  1
  H  H26  1  0.77310884  0.03508675  0.85140607  1
  H  H27  1  0.27310494  0.46490891  0.64859578  1
  H  H28  1  0.22689214  0.96491453  0.14859338  1
  H  H29  1  0.72689765  0.53509123  0.35140630  1
  H  H30  1  0.92051650  0.11419721  0.80633511  1
  H  H31  1  0.42051238  0.38579703  0.69366728  1
  H  H32  1  0.07948360  0.88580444  0.19366382  1
  H  H33  1  0.57949075  0.61420197  0.30633281  1
  H  H34  1  0.21360210  0.32834129  0.96788052  1
  H  H35  1  0.71360098  0.17165789  0.53211643  1
  H  H36  1  0.78639832  0.67165791  0.03211765  1
  H  H37  1  0.28639895  0.82834076  0.46788192  1
  H  H38  1  0.15157060  0.18289678  0.87463108  1
  H  H39  1  0.65157252  0.31710269  0.62536781  1
  H  H40  1  0.84842810  0.81710202  0.12536847  1
  H  H41  1  0.34842793  0.68289550  0.37463195  1
  H  H42  1  0.58316678  0.38466528  0.06060498  1
  H  H43  1  0.08315681  0.11531317  0.43938348  1
  H  H44  1  0.41683553  0.61532888  0.93939247  1
  H  H45  1  0.91684436  0.88468938  0.56061731  1
  H  H46  1  0.74287057  0.43357779  0.00105921  1
  H  H47  1  0.24287889  0.06641470  0.49894019  1
  H  H48  1  0.25712744  0.56642059  0.99894086  1
  H  H49  1  0.75712185  0.93358735  0.50105913  1
  H  H50  1  0.79617232  0.26279150  0.10666543  1
  H  H51  1  0.29617148  0.23720891  0.39333522  1
  H  H52  1  0.20382773  0.73720678  0.89333383  1
  H  H53  1  0.70382923  0.76279492  0.60666473  1
  H  H54  1  0.69050301  0.13322328  0.02694077  1
  H  H55  1  0.19049796  0.36677102  0.47306062  1
  H  H56  1  0.30949812  0.86677497  0.97305768  1
  H  H57  1  0.80950186  0.63323124  0.52694056  1
  H  H58  1  0.79251095  0.33085150  0.81205093  1
  H  H59  1  0.29250919  0.16914166  0.68794752  1
  H  H60  1  0.20748827  0.66915001  0.18794888  1
  H  H61  1  0.70749238  0.83085645  0.31205164  1
  H  H62  1  0.68304112  0.18599998  0.75356108  1
  H  H63  1  0.18303649  0.31399172  0.74643929  1
  H  H64  1  0.31695895  0.81400146  0.24643906  1
  H  H65  1  0.81696630  0.68600591  0.25356117  1
  H  H66  1  0.98160846  0.36213418  0.05221963  1
  H  H67  1  0.48160581  0.13786788  0.44777924  1
  H  H68  1  0.01839225  0.63786609  0.94777995  1
  H  H69  1  0.51839326  0.86213431  0.55222022  1
  H  H70  1  0.96884855  0.36643000  0.92090530  1
  H  H71  1  0.46884836  0.13357002  0.57909271  1
  H  H72  1  0.03115175  0.63357132  0.07909486  1
  H  H73  1  0.53115155  0.86643090  0.42090586  1
  C  C74  1  0.82971952  0.13544730  0.85768786  1
  C  C75  1  0.32971630  0.36454879  0.64231345  1
  C  C76  1  0.17028098  0.86455410  0.14231156  1
  C  C77  1  0.67028530  0.63545076  0.35768789  1
  C  C78  1  0.13816550  0.23959391  0.95329357  1
  C  C79  1  0.63816608  0.26040657  0.54670466  1
  C  C80  1  0.86183388  0.76040616  0.04670644  1
  C  C81  1  0.36183506  0.73959315  0.45329308  1
  C  C82  1  0.67244423  0.34275658  0.99914948  1
  C  C83  1  0.17244800  0.15723619  0.50084987  1
  C  C84  1  0.32755406  0.65724293  0.00085096  1
  C  C85  1  0.82755237  0.84276526  0.49914979  1
  C  C86  1  0.75773276  0.22639638  0.02952908  1
  C  C87  1  0.25773216  0.27360039  0.47047139  1
  C  C88  1  0.24226719  0.77360262  0.97047006  1
  C  C89  1  0.74226802  0.72640168  0.52952860  1
  C  C90  1  0.73005042  0.24135005  0.82542629  1
  C  C91  1  0.23004900  0.25864397  0.67457384  1
  C  C92  1  0.26994905  0.75865145  0.17457385  1
  C  C93  1  0.76995255  0.74135471  0.32542614  1
  C  C94  1  0.98844625  0.29852686  0.97397448  1
  C  C95  1  0.48844627  0.20147452  0.52602467  1
  C  C96  1  0.01155426  0.70147395  0.02602494  1
  C  C97  1  0.51155552  0.79852654  0.47397500  1
  N  N98  1  0.88054993  0.18405737  0.96195705  1
  N  N99  1  0.38054956  0.31594434  0.53804395  1
  N  N100  1  0.11945010  0.81594378  0.03804218  1
  N  N101  1  0.61945070  0.68405649  0.46195677  1
  N  N102  1  0.17328580  0.14006367  0.01578906  1
  N  N103  1  0.67328720  0.35993746  0.48420882  1
  N  N104  1  0.82671380  0.85993692  0.98421125  1
  N  N105  1  0.32671742  0.64006384  0.51579054  1
  N  N106  1  0.61730765  0.29759152  0.89776630  1
  N  N107  1  0.11730756  0.20239977  0.60223019  1
  N  N108  1  0.38269080  0.70240984  0.10223311  1
  N  N109  1  0.88269327  0.79760017  0.39776988  1
  O  O110  1  0.04585648  0.92422863  0.86574123  1
  O  O111  1  0.54586257  0.57576959  0.63425507  1
  O  O112  1  0.95414262  0.07577091  0.13425740  1
  O  O113  1  0.45412945  0.42421830  0.36574905  1
  O  O114  1  -0.00808234  0.94903717  0.63889369  1
  O  O115  1  0.49191415  0.55094291  0.86108984  1
  O  O116  1  1.00808285  0.05096137  0.36110397  1
  O  O117  1  0.50808423  0.44906347  0.13891803  1
  O  O118  1  0.89930164  0.40730665  0.63426146  1
  O  O119  1  0.39929867  0.09268304  0.86574094  1
  O  O120  1  0.10069966  0.59269144  0.36573960  1
  O  O121  1  0.60069975  0.90731699  0.13425825  1
  O  O122  1  0.05017730  0.66619854  0.67780357  1
  O  O123  1  0.55018035  0.83379433  0.82219624  1
  O  O124  1  0.94981604  0.33380270  0.32219386  1
  O  O125  1  0.44981883  0.16620560  0.17780317  1
  O  O126  1  0.29034180  0.86238292  0.70854449  1
  O  O127  1  0.79034297  0.63760941  0.79145738  1
  O  O128  1  0.70965788  0.13761700  0.29145466  1
  O  O129  1  0.20965521  0.36238997  0.20854342  1
  O  O130  1  0.04270101  0.49066550  0.81726758  1
  O  O131  1  0.54269929  1.00932973  0.68273451  1
  O  O132  1  0.95730128  0.50933882  0.18273231  1
  O  O133  1  0.45730030  -0.00932963  0.31726531  1
