# generated using pymatgen
data_Mn2VFe2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35735680
_cell_length_b   9.70780591
_cell_length_c   13.64877660
_cell_angle_alpha   103.40420776
_cell_angle_beta   90.00000710
_cell_angle_gamma   90.00013039
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VFe2H32C12(NO2)6
_chemical_formula_sum   'Mn4 V2 Fe4 H64 C24 N12 O24'
_cell_volume   1206.07188394
_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  0.09484484  0.87052010  0.73324086  1
  Mn  Mn1  1  0.59485075  0.62946670  0.76675749  1
  Mn  Mn2  1  0.90515239  0.12947539  0.26675869  1
  Mn  Mn3  1  0.40514612  0.37054068  0.23324339  1
  Fe  Fe4  1  0.94947808  0.55911311  0.72893197  1
  Fe  Fe5  1  0.44947617  0.94087960  0.77106658  1
  Fe  Fe6  1  0.05051981  0.44088967  0.27106859  1
  Fe  Fe7  1  0.55052148  0.05911872  0.22893305  1
  V  V8  1  0.00000031  1.00000032  0.99999988  1
  V  V9  1  0.50000079  0.49999915  0.50000015  1
  H  H10  1  0.19890710  0.19874238  0.09015322  1
  H  H11  1  0.69890505  0.30125738  0.40984432  1
  H  H12  1  0.80109299  0.80125815  0.90984609  1
  H  H13  1  0.30109672  0.69874193  0.59015672  1
  H  H14  1  0.28128160  0.10126677  0.98908617  1
  H  H15  1  0.78128186  0.39873247  0.51090964  1
  H  H16  1  0.71871922  0.89873314  0.01091409  1
  H  H17  1  0.21871947  0.60126822  0.48909108  1
  H  H18  1  0.58368775  0.38411463  0.86849063  1
  H  H19  1  0.08369066  0.11587834  0.63150842  1
  H  H20  1  0.41631254  0.61588724  0.13151048  1
  H  H21  1  0.91630903  0.88412027  0.36849045  1
  H  H22  1  0.48380797  0.16800093  0.88865118  1
  H  H23  1  -0.01619453  0.33199059  0.61135221  1
  H  H24  1  0.51619112  0.83200052  0.11134565  1
  H  H25  1  1.01619477  0.66800894  0.38865100  1
  H  H26  1  0.76489652  0.03120739  0.85030955  1
  H  H27  1  0.26489697  0.46878802  0.64969119  1
  H  H28  1  0.23510166  0.96879359  0.14968799  1
  H  H29  1  0.73510225  0.53120962  0.35031202  1
  H  H30  1  0.91847970  0.09584272  0.79969993  1
  H  H31  1  0.41848166  0.40415618  0.70030293  1
  H  H32  1  0.08151865  0.90415720  0.20029871  1
  H  H33  1  0.58151809  0.59584119  0.29969738  1
  H  H34  1  0.20903916  0.33212526  0.96900843  1
  H  H35  1  0.70903964  0.16787446  0.53098813  1
  H  H36  1  0.79096140  0.66787421  0.03098931  1
  H  H37  1  0.29096183  0.83212594  0.46901353  1
  H  H38  1  0.16543841  0.18119173  0.87360027  1
  H  H39  1  0.66544104  0.31880665  0.62639729  1
  H  H40  1  0.83456221  0.81880589  0.12639863  1
  H  H41  1  0.33456017  0.68119450  0.37360397  1
  H  H42  1  0.58274549  0.36785569  0.04489001  1
  H  H43  1  0.08274625  0.13214041  0.45511028  1
  H  H44  1  0.41725430  0.63214334  0.95511019  1
  H  H45  1  0.91725311  0.86786247  0.54488883  1
  H  H46  1  0.74202011  0.44091718  0.01152168  1
  H  H47  1  0.24202198  0.05908147  0.48847855  1
  H  H48  1  0.25797921  0.55908346  0.98847938  1
  H  H49  1  0.75797646  0.94091821  0.51151931  1
  H  H50  1  0.79525418  0.26144593  0.10444913  1
  H  H51  1  0.29525243  0.23855447  0.39555191  1
  H  H52  1  0.20474651  0.73855207  0.89555012  1
  H  H53  1  0.70474882  0.76144765  0.60444852  1
  H  H54  1  0.69116631  0.13196017  0.02266067  1
  H  H55  1  0.19116499  0.36803827  0.47734171  1
  H  H56  1  0.30883475  0.86803861  0.97733728  1
  H  H57  1  0.80883740  0.63196396  0.52266005  1
  H  H58  1  0.81282877  0.32329581  0.80269456  1
  H  H59  1  0.31283141  0.17669958  0.69730593  1
  H  H60  1  0.18717299  0.67670734  0.19730783  1
  H  H61  1  0.68717199  0.82329310  0.30268860  1
  H  H62  1  0.69027949  0.18816860  0.74913113  1
  H  H63  1  0.19028204  0.31182622  0.75086958  1
  H  H64  1  0.30972214  0.81183679  0.25086782  1
  H  H65  1  0.80972269  0.68816448  0.24913122  1
  H  H66  1  0.96917122  0.41061712  0.10245077  1
  H  H67  1  0.46917102  0.08939038  0.39755212  1
  H  H68  1  0.03082561  0.58939764  0.89755594  1
  H  H69  1  0.53082493  0.91059838  0.60244183  1
  H  H70  1  0.96509081  0.37234228  0.93051566  1
  H  H71  1  0.46509346  0.12765784  0.56948584  1
  H  H72  1  0.03490989  0.62766096  0.06948701  1
  H  H73  1  0.53490779  0.87233905  0.43051115  1
  C  C74  1  0.82928114  0.12618761  0.85269601  1
  C  C75  1  0.32928286  0.37380888  0.64730512  1
  C  C76  1  0.17071778  0.87381320  0.14730291  1
  C  C77  1  0.67071729  0.62618874  0.35269577  1
  C  C78  1  0.14221689  0.23645718  0.95215443  1
  C  C79  1  0.64221769  0.26354226  0.54784352  1
  C  C80  1  0.85778366  0.76354213  0.04784434  1
  C  C81  1  0.35778364  0.73645811  0.45215770  1
  C  C82  1  0.67696497  0.34300176  0.99600044  1
  C  C83  1  0.17696541  0.15699571  0.50400014  1
  C  C84  1  0.32303501  0.65699840  0.00399976  1
  C  C85  1  0.82303424  0.84300487  0.49599912  1
  C  C86  1  0.75884439  0.22493453  0.02669196  1
  C  C87  1  0.25884392  0.27506450  0.47330947  1
  C  C88  1  0.24115606  0.77506514  0.97330734  1
  C  C89  1  0.74115718  0.72493628  0.52669092  1
  C  C90  1  0.74256614  0.24031915  0.82008884  1
  C  C91  1  0.24256856  0.25967594  0.67991183  1
  C  C92  1  0.25743426  0.75968349  0.17991123  1
  C  C93  1  0.75743371  0.74031885  0.32008722  1
  C  C94  1  0.99195861  0.28034712  0.96197043  1
  C  C95  1  0.49195933  0.21965223  0.53802961  1
  C  C96  1  0.00804248  0.71965333  0.03802939  1
  C  C97  1  0.50804254  0.78034717  0.46197011  1
  N  N98  1  0.88318838  0.17641259  0.95822097  1
  N  N99  1  0.38318887  0.32358619  0.54178007  1
  N  N100  1  0.11681188  0.82358793  0.04177805  1
  N  N101  1  0.61681235  0.67641330  0.45822060  1
  N  N102  1  0.18226531  0.14006738  0.01724932  1
  N  N103  1  0.68226472  0.35993239  0.48274862  1
  N  N104  1  0.81773547  0.85993276  0.98275020  1
  N  N105  1  0.31773696  0.64006748  0.51725218  1
  N  N106  1  0.63229412  0.30060740  0.89188663  1
  N  N107  1  0.13229574  0.19938736  0.60811418  1
  N  N108  1  0.36770582  0.69939377  0.10811342  1
  N  N109  1  0.86770429  0.80061168  0.39188537  1
  O  O110  1  0.05172000  0.92718290  0.87192209  1
  O  O111  1  0.55172153  0.57281961  0.62807764  1
  O  O112  1  0.94828129  0.07281803  0.12807776  1
  O  O113  1  0.44828089  0.42717870  0.37192262  1
  O  O114  1  0.00904482  0.98961906  0.68176599  1
  O  O115  1  0.50904427  0.51036438  0.81822625  1
  O  O116  1  0.99095780  0.01037901  0.31823366  1
  O  O117  1  0.49095753  0.48964377  0.18177731  1
  O  O118  1  0.90619922  0.40401094  0.62118255  1
  O  O119  1  0.40620348  0.09597822  0.87882072  1
  O  O120  1  0.09379903  0.59598650  0.37882155  1
  O  O121  1  0.59379367  0.90402503  0.12117523  1
  O  O122  1  0.04675635  0.69609678  0.67393294  1
  O  O123  1  0.54675792  0.80389073  0.82605616  1
  O  O124  1  0.95323629  0.30390180  0.32605892  1
  O  O125  1  0.45323862  0.19611488  0.17395265  1
  O  O126  1  0.27983026  0.84736262  0.71338165  1
  O  O127  1  0.77983574  0.65263301  0.78662073  1
  O  O128  1  0.72016717  0.15263150  0.28662223  1
  O  O129  1  0.22016127  0.34737038  0.21337755  1
  O  O130  1  0.04890071  0.51266549  0.83799735  1
  O  O131  1  0.54889548  0.98733058  0.66200141  1
  O  O132  1  0.95109741  0.48735144  0.16200760  1
  O  O133  1  0.45109983  0.01265722  0.33799375  1
