# generated using pymatgen
data_MnV2H36C36S4(NO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50706858
_cell_length_b   11.11633814
_cell_length_c   11.36079861
_cell_angle_alpha   90.96523769
_cell_angle_beta   111.14697053
_cell_angle_gamma   89.46227574
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2H36C36S4(NO8)2
_chemical_formula_sum   'Mn1 V2 H36 C36 S4 N2 O16'
_cell_volume   1001.86371446
_cell_formula_units_Z   1
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  0.82153782  0.83572189  0.92809535  1
  V  V1  1  0.17845617  0.16428877  0.07190213  1
  Mn  Mn2  1  0.49998441  -0.00000953  -0.00000687  1
  H  H3  1  0.92038001  0.01528489  0.82776986  1
  H  H4  1  0.07960028  0.98472276  0.17222241  1
  H  H5  1  0.80160148  0.93511770  0.71412690  1
  H  H6  1  0.19839049  0.06488109  0.28586653  1
  H  H7  1  0.67036569  0.52546225  0.07418515  1
  H  H8  1  0.32967301  0.47455372  0.92582264  1
  H  H9  1  0.58619567  0.35582611  0.17589919  1
  H  H10  1  0.41384274  0.64418110  0.82409266  1
  H  H11  1  0.48662979  0.39449229  0.35499984  1
  H  H12  1  0.51338277  0.60549991  0.64498200  1
  H  H13  1  0.47804070  0.60558668  0.43268052  1
  H  H14  1  0.52197162  0.39439649  0.56731814  1
  H  H15  1  0.10747397  0.87111668  0.70089999  1
  H  H16  1  0.89252469  0.12888470  0.29910383  1
  H  H17  1  0.87773732  0.86243558  0.49095802  1
  H  H18  1  0.12226016  0.13756250  0.50904512  1
  H  H19  1  0.94530657  0.83282933  0.29714924  1
  H  H20  1  0.05469290  0.16716161  0.70285484  1
  H  H21  1  0.24543651  0.81394775  0.31456656  1
  H  H22  1  0.75456336  0.18604105  0.68543851  1
  H  H23  1  0.77135989  0.19344411  0.00976122  1
  H  H24  1  0.22861527  0.80654904  0.99022555  1
  H  H25  1  0.90896442  0.70965844  0.70408200  1
  H  H26  1  0.09104299  0.29033745  0.29591061  1
  H  H27  1  0.93597605  0.57926737  0.57126435  1
  H  H28  1  0.06400999  0.42072175  0.42873586  1
  H  H29  1  0.83296284  0.43875088  0.56699287  1
  H  H30  1  0.16702377  0.56124023  0.43301907  1
  H  H31  1  0.05655990  0.44791660  0.63840820  1
  H  H32  1  0.94342859  0.55207403  0.36159617  1
  H  H33  1  0.80770246  0.43134028  0.84902500  1
  H  H34  1  0.19230301  0.56867091  0.15099577  1
  H  H35  1  0.03093402  0.44153251  0.91888021  1
  H  H36  1  0.96907357  0.55846543  0.08112511  1
  H  H37  1  0.93839316  0.34681072  0.78401270  1
  H  H38  1  0.06158792  0.65319116  0.21599489  1
  C  C39  1  0.56562830  0.68337679  0.29512634  1
  C  C40  1  0.43438352  0.31662280  0.70487998  1
  C  C41  1  0.61756191  0.66219497  0.19135872  1
  C  C42  1  0.38245669  0.33781601  0.80864996  1
  C  C43  1  0.62744576  0.54268249  0.15244619  1
  C  C44  1  0.37258440  0.45732965  0.84755814  1
  C  C45  1  0.58061154  0.44712045  0.21027860  1
  C  C46  1  0.41941743  0.55288495  0.78971595  1
  C  C47  1  0.52575500  0.46905700  0.31076900  1
  C  C48  1  0.47426202  0.53093905  0.68922093  1
  C  C49  1  0.51972579  0.58682764  0.35389533  1
  C  C50  1  0.48028647  0.41316461  0.64610200  1
  C  C51  1  0.65934119  0.76185898  0.12123069  1
  C  C52  1  0.34067188  0.23816236  0.87878599  1
  C  C53  1  0.34481818  0.83113144  0.51836221  1
  C  C54  1  0.65518040  0.16886134  0.48164245  1
  C  C55  1  0.30778122  0.84377054  0.62979264  1
  C  C56  1  0.69221365  0.15622918  0.37020918  1
  C  C57  1  0.13778727  0.85649720  0.61648797  1
  C  C58  1  0.86220891  0.14350256  0.38351476  1
  C  C59  1  0.00862666  0.85206010  0.49839447  1
  C  C60  1  0.99137087  0.14793700  0.50160879  1
  C  C61  1  0.04677857  0.83625890  0.38958197  1
  C  C62  1  0.95322064  0.16373422  0.61042213  1
  C  C63  1  0.21493195  0.82592426  0.39946377  1
  C  C64  1  0.78506775  0.17406681  0.60054098  1
  C  C65  1  0.43662510  0.84533409  0.76164892  1
  C  C66  1  0.56336559  0.15466879  0.23834926  1
  C  C67  1  0.81723560  0.11598284  0.96985399  1
  C  C68  1  0.18274688  0.88401348  0.03013445  1
  C  C69  1  0.91373217  0.64228900  0.77572358  1
  C  C70  1  0.08626257  0.35771346  0.22427190  1
  C  C71  1  0.93810399  0.49664788  0.62299564  1
  C  C72  1  0.06188578  0.50334402  0.37700953  1
  C  C73  1  0.92485363  0.43176639  0.82904524  1
  C  C74  1  0.07514416  0.56823789  0.17096496  1
  S  S75  1  0.55786699  0.82979757  0.35223104  1
  S  S76  1  0.44213586  0.17019701  0.64778631  1
  S  S77  1  0.55619376  0.82118786  0.53197540  1
  S  S78  1  0.44380824  0.17879560  0.46803700  1
  N  N79  1  0.92370651  0.52800315  0.74343852  1
  N  N80  1  0.07629025  0.47199697  0.25656706  1
  O  O81  1  0.74528023  0.73509020  0.05262647  1
  O  O82  1  0.25471000  0.26493307  0.94737206  1
  O  O83  1  0.60633800  0.86710979  0.13298886  1
  O  O84  1  0.39369645  0.13291365  0.86704501  1
  O  O85  1  0.59011193  0.82177486  0.77684841  1
  O  O86  1  0.40988091  0.17823639  0.22315416  1
  O  O87  1  0.38442125  0.86569972  0.85185811  1
  O  O88  1  0.61556043  0.13429721  0.14813841  1
  O  O89  1  0.74857159  0.01401634  0.96991772  1
  O  O90  1  0.25141619  0.98597710  0.03006940  1
  O  O91  1  0.93375234  0.13324923  0.92622513  1
  O  O92  1  0.06623180  0.86675156  0.07376698  1
  O  O93  1  0.91031839  0.67303391  0.88231617  1
  O  O94  1  0.08965878  0.32697965  0.11767218  1
  O  O95  1  0.90187554  0.93129427  0.79116787  1
  O  O96  1  0.09811186  0.06871049  0.20882946  1
