# generated using pymatgen
data_Mn2Ni3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35049972
_cell_length_b   9.70278412
_cell_length_c   13.64951720
_cell_angle_alpha   103.37472058
_cell_angle_beta   90.00001438
_cell_angle_gamma   90.00012515
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Ni3H32C12(NO2)6
_chemical_formula_sum   'Mn4 Ni6 H64 C24 N12 O24'
_cell_volume   1204.77758234
_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  0.09808758  0.85384992  0.72792418  1
  Mn  Mn1  1  0.59809041  0.64614475  0.77207383  1
  Mn  Mn2  1  0.90191109  0.14615258  0.27207588  1
  Mn  Mn3  1  0.40190904  0.35385434  0.22792668  1
  Ni  Ni4  1  0.94189788  0.54922545  0.72938980  1
  Ni  Ni5  1  0.44189914  0.95076776  0.77060970  1
  Ni  Ni6  1  0.05810346  0.45077555  0.27061097  1
  Ni  Ni7  1  0.55810174  0.04923180  0.22938923  1
  Ni  Ni8  1  -0.00000290  0.99999939  1.00000084  1
  Ni  Ni9  1  0.49999763  0.50000043  0.49999943  1
  H  H10  1  0.18915285  0.18951342  0.08726418  1
  H  H11  1  0.68915220  0.31048859  0.41273391  1
  H  H12  1  0.81084710  0.81048951  0.91273571  1
  H  H13  1  0.31084807  0.68950983  0.58726696  1
  H  H14  1  0.27593145  0.09397518  0.98609438  1
  H  H15  1  0.77593240  0.40602522  0.51390245  1
  H  H16  1  0.72406654  0.90602481  0.01390455  1
  H  H17  1  0.22406641  0.59397489  0.48609959  1
  H  H18  1  0.58685070  0.38173153  0.86855999  1
  H  H19  1  0.08685355  0.11826316  0.63144180  1
  H  H20  1  0.41314947  0.61827173  0.13144125  1
  H  H21  1  0.91314700  0.88173395  0.36855669  1
  H  H22  1  0.47165161  0.16567465  0.89035982  1
  H  H23  1  -0.02835252  0.33431546  0.60964489  1
  H  H24  1  0.52834845  0.83432829  0.10963933  1
  H  H25  1  1.02835339  0.66568180  0.39035594  1
  H  H26  1  0.76239362  0.02751673  0.85318625  1
  H  H27  1  0.26239197  0.47247916  0.64681629  1
  H  H28  1  0.23760913  0.97248322  0.14681121  1
  H  H29  1  0.73761209  0.52752008  0.35318695  1
  H  H30  1  0.91493521  0.08773548  0.79897849  1
  H  H31  1  0.41493392  0.41226575  0.70102592  1
  H  H32  1  0.08506969  0.91227199  0.20102384  1
  H  H33  1  0.58507208  0.58772623  0.29897205  1
  H  H34  1  0.20807746  0.32871205  0.97057653  1
  H  H35  1  0.70807851  0.17128905  0.52942008  1
  H  H36  1  0.79191989  0.67129197  0.02942391  1
  H  H37  1  0.29191952  0.82870655  0.47057897  1
  H  H38  1  0.17317016  0.17991939  0.87253640  1
  H  H39  1  0.67317502  0.32007862  0.62746097  1
  H  H40  1  0.82682848  0.82008199  0.12746287  1
  H  H41  1  0.32682390  0.67991879  0.37253978  1
  H  H42  1  0.58399798  0.36435652  0.04402840  1
  H  H43  1  0.08399824  0.13564273  0.45597462  1
  H  H44  1  0.41600156  0.63564521  0.95597312  1
  H  H45  1  0.91600098  0.86435723  0.54402383  1
  H  H46  1  0.74069046  0.44069417  0.00889424  1
  H  H47  1  0.24069141  0.05930448  0.49110726  1
  H  H48  1  0.25931104  0.55930578  0.99110797  1
  H  H49  1  0.75930968  0.94069577  0.50888971  1
  H  H50  1  0.80109578  0.26241880  0.10279324  1
  H  H51  1  0.30109628  0.23758214  0.39720992  1
  H  H52  1  0.19890108  0.73758012  0.89720827  1
  H  H53  1  0.69890132  0.76241987  0.60278886  1
  H  H54  1  0.69605159  0.13153727  0.02376485  1
  H  H55  1  0.19605112  0.36846137  0.47623905  1
  H  H56  1  0.30394612  0.86846083  0.97623506  1
  H  H57  1  0.80394757  0.63154114  0.52376135  1
  H  H58  1  0.81245057  0.31548774  0.79985818  1
  H  H59  1  0.31245266  0.18450995  0.70014416  1
  H  H60  1  0.18755282  0.68451754  0.20014564  1
  H  H61  1  0.68755142  0.81548364  0.29985114  1
  H  H62  1  0.68626815  0.18031860  0.74904039  1
  H  H63  1  0.18626982  0.31967654  0.75096248  1
  H  H64  1  0.31373522  0.81968586  0.25096036  1
  H  H65  1  0.81373502  0.68031738  0.24903674  1
  H  H66  1  0.96986157  0.42863086  0.10979128  1
  H  H67  1  0.46986187  0.07136560  0.39020716  1
  H  H68  1  0.03013922  0.57135772  0.89020468  1
  H  H69  1  0.53013819  0.92864553  0.60979512  1
  H  H70  1  0.96670454  0.37274985  0.92993324  1
  H  H71  1  0.46670609  0.12725285  0.57007229  1
  H  H72  1  0.03329426  0.62725073  0.07007182  1
  H  H73  1  0.53329304  0.87274578  0.42992180  1
  C  C74  1  0.82743520  0.12096740  0.85264698  1
  C  C75  1  0.32743617  0.37903119  0.64735550  1
  C  C76  1  0.17256505  0.87903606  0.14735193  1
  C  C77  1  0.67256554  0.62096500  0.35264558  1
  C  C78  1  0.14251364  0.23201105  0.95024456  1
  C  C79  1  0.64251504  0.26798876  0.54975405  1
  C  C80  1  0.85748540  0.76798928  0.04975515  1
  C  C81  1  0.35748468  0.73201078  0.45024629  1
  C  C82  1  0.67814961  0.34111701  0.99456544  1
  C  C83  1  0.17815052  0.15888158  0.50543768  1
  C  C84  1  0.32185067  0.65888430  0.00543669  1
  C  C85  1  0.82185032  0.84111812  0.49456033  1
  C  C86  1  0.76257197  0.22464851  0.02585423  1
  C  C87  1  0.26257206  0.27535096  0.47414915  1
  C  C88  1  0.23742687  0.77535165  0.97414696  1
  C  C89  1  0.73742745  0.72464969  0.52584973  1
  C  C90  1  0.74095570  0.23417045  0.81850119  1
  C  C91  1  0.24095816  0.26582648  0.68150164  1
  C  C92  1  0.25904493  0.76583418  0.18150117  1
  C  C93  1  0.75904365  0.73416792  0.31849605  1
  C  C94  1  0.99203978  0.27522804  0.95625166  1
  C  C95  1  0.49204098  0.22477254  0.54374932  1
  C  C96  1  0.00795814  0.72477247  0.04374793  1
  C  C97  1  0.50795784  0.77522661  0.45625052  1
  N  N98  1  0.88494055  0.17508918  0.95654922  1
  N  N99  1  0.38493995  0.32491135  0.54345348  1
  N  N100  1  0.11506050  0.82491124  0.04345160  1
  N  N101  1  0.61506164  0.67508851  0.45654583  1
  N  N102  1  0.17678073  0.13329711  0.01378954  1
  N  N103  1  0.67678011  0.36670350  0.48620934  1
  N  N104  1  0.82322070  0.86670422  0.98621040  1
  N  N105  1  0.32322152  0.63329572  0.51379134  1
  N  N106  1  0.63195383  0.29670594  0.89083942  1
  N  N107  1  0.13195637  0.20328988  0.60916337  1
  N  N108  1  0.36804544  0.70329507  0.10916176  1
  N  N109  1  0.86804402  0.79670884  0.39083530  1
  O  O110  1  0.05833907  0.89868443  0.85169492  1
  O  O111  1  0.55834670  0.60131391  0.64830237  1
  O  O112  1  0.94165921  0.10131552  0.14830512  1
  O  O113  1  0.44165187  0.39868579  0.35169823  1
  O  O114  1  0.02109040  0.96731409  0.66894304  1
  O  O115  1  0.52108754  0.53267705  0.83105062  1
  O  O116  1  0.97890973  0.03269197  0.33105911  1
  O  O117  1  0.47891352  0.46732047  0.16894966  1
  O  O118  1  0.88961184  0.40047103  0.61969114  1
  O  O119  1  0.38961480  0.09951959  0.88031178  1
  O  O120  1  0.11038965  0.59952745  0.38030871  1
  O  O121  1  0.61038601  0.90048237  0.11968810  1
  O  O122  1  0.04190725  0.68758927  0.67345047  1
  O  O123  1  0.54190932  0.81240407  0.82654853  1
  O  O124  1  0.95808278  0.31241740  0.32654738  1
  O  O125  1  0.45808342  0.18759202  0.17345268  1
  O  O126  1  0.27767308  0.84551492  0.70697690  1
  O  O127  1  0.77767428  0.65447776  0.79302658  1
  O  O128  1  0.72232557  0.15448608  0.29302342  1
  O  O129  1  0.22232496  0.34552163  0.20697289  1
  O  O130  1  0.03554456  0.48633025  0.83541893  1
  O  O131  1  0.53554140  1.01367040  0.66458310  1
  O  O132  1  0.96445465  0.51366113  0.16457684  1
  O  O133  1  0.46445689  -0.01366157  0.33541979  1
