# generated using pymatgen
data_V2FeH36C36S4(NO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50400890
_cell_length_b   11.11000669
_cell_length_c   11.35458152
_cell_angle_alpha   90.95747426
_cell_angle_beta   111.13980644
_cell_angle_gamma   89.46087936
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2FeH36C36S4(NO8)2
_chemical_formula_sum   'V2 Fe1 H36 C36 S4 N2 O16'
_cell_volume   1000.43557302
_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  0.82239663  0.83639089  0.92846645  1
  V  V1  1  0.17758963  0.16361623  0.07152532  1
  Fe  Fe2  1  0.49999199  0.00000669  0.00001689  1
  H  H3  1  0.92069890  0.01430484  0.82790724  1
  H  H4  1  0.07927957  0.98570350  0.17208337  1
  H  H5  1  0.80087124  0.93562556  0.71367963  1
  H  H6  1  0.19912123  0.06437224  0.28631243  1
  H  H7  1  0.67027382  0.52783179  0.07384461  1
  H  H8  1  0.32976520  0.47218227  0.92616326  1
  H  H9  1  0.58697712  0.35729266  0.17588759  1
  H  H10  1  0.41305848  0.64271327  0.82410437  1
  H  H11  1  0.48762071  0.39545585  0.35518298  1
  H  H12  1  0.51239299  0.60453496  0.64480099  1
  H  H13  1  0.47809182  0.60683345  0.43318240  1
  H  H14  1  0.52192124  0.39315014  0.56681720  1
  H  H15  1  0.10794336  0.87107238  0.70168514  1
  H  H16  1  0.89205383  0.12892863  0.29832014  1
  H  H17  1  0.87818457  0.86223579  0.49188258  1
  H  H18  1  0.12181377  0.13776197  0.50812099  1
  H  H19  1  0.94563493  0.83287800  0.29766153  1
  H  H20  1  0.05436597  0.16711250  0.70234361  1
  H  H21  1  0.24612961  0.81407280  0.31509179  1
  H  H22  1  0.75387232  0.18591583  0.68491612  1
  H  H23  1  0.76785217  0.19324574  0.00992548  1
  H  H24  1  0.23212253  0.80674727  0.99006050  1
  H  H25  1  0.90863978  0.71020440  0.70425725  1
  H  H26  1  0.09136850  0.28979095  0.29573546  1
  H  H27  1  0.93571172  0.57983948  0.57122407  1
  H  H28  1  0.06427444  0.42014808  0.42877407  1
  H  H29  1  0.83287041  0.43907418  0.56673543  1
  H  H30  1  0.16711595  0.56091650  0.43327661  1
  H  H31  1  0.05653396  0.44836783  0.63811020  1
  H  H32  1  0.94345319  0.55162168  0.36189302  1
  H  H33  1  0.80749319  0.43151087  0.84900699  1
  H  H34  1  0.19251076  0.56849960  0.15101185  1
  H  H35  1  0.03068875  0.44187658  0.91893266  1
  H  H36  1  0.96931772  0.55812147  0.08107301  1
  H  H37  1  0.93845947  0.34700705  0.78400100  1
  H  H38  1  0.06152317  0.65299578  0.21600634  1
  C  C39  1  0.56381033  0.68482895  0.29466758  1
  C  C40  1  0.43620328  0.31516876  0.70533781  1
  C  C41  1  0.61491620  0.66387994  0.19025492  1
  C  C42  1  0.38510469  0.33612638  0.80975241  1
  C  C43  1  0.62692226  0.54449160  0.15201927  1
  C  C44  1  0.37311127  0.45551681  0.84798650  1
  C  C45  1  0.58098699  0.44864096  0.21019333  1
  C  C46  1  0.41904192  0.55136244  0.78980285  1
  C  C47  1  0.52617271  0.47031608  0.31086805  1
  C  C48  1  0.47384439  0.52967908  0.68912375  1
  C  C49  1  0.51942264  0.58809182  0.35411512  1
  C  C50  1  0.48059176  0.41190020  0.64588368  1
  C  C51  1  0.65369929  0.76323471  0.11829948  1
  C  C52  1  0.34630612  0.23677717  0.88170742  1
  C  C53  1  0.34514715  0.83136596  0.51880209  1
  C  C54  1  0.65485292  0.16862738  0.48120572  1
  C  C55  1  0.30831029  0.84460451  0.63029392  1
  C  C56  1  0.69168856  0.15539568  0.36971263  1
  C  C57  1  0.13825879  0.85668984  0.61720351  1
  C  C58  1  0.86173926  0.14330954  0.38280194  1
  C  C59  1  0.00899798  0.85182338  0.49913905  1
  C  C60  1  0.99100084  0.14817344  0.50086576  1
  C  C61  1  0.04701876  0.83608660  0.39018080  1
  C  C62  1  0.95298130  0.16390656  0.60982489  1
  C  C63  1  0.21519081  0.82565507  0.39992736  1
  C  C64  1  0.78480980  0.17433606  0.60007984  1
  C  C65  1  0.43799227  0.84750727  0.76187810  1
  C  C66  1  0.56200833  0.15250268  0.23812881  1
  C  C67  1  0.81374639  0.11511006  0.97076504  1
  C  C68  1  0.18623071  0.88488602  0.02921834  1
  C  C69  1  0.91311802  0.64247500  0.77562075  1
  C  C70  1  0.08687703  0.35752877  0.22437623  1
  C  C71  1  0.93798318  0.49701652  0.62279861  1
  C  C72  1  0.06200616  0.50297528  0.37720661  1
  C  C73  1  0.92469671  0.43193936  0.82902316  1
  C  C74  1  0.07530101  0.56806559  0.17098694  1
  S  S75  1  0.55667402  0.83171408  0.35070938  1
  S  S76  1  0.44333088  0.16828056  0.64930105  1
  S  S77  1  0.55646697  0.82226540  0.53161902  1
  S  S78  1  0.44353314  0.17772182  0.46839006  1
  N  N79  1  0.92350645  0.52819139  0.74330165  1
  N  N80  1  0.07649071  0.47180998  0.25670428  1
  O  O81  1  0.74492596  0.73736612  0.05343672  1
  O  O82  1  0.25507301  0.26265210  0.94656260  1
  O  O83  1  0.59401215  0.86725386  0.12617989  1
  O  O84  1  0.40598678  0.13275358  0.87383510  1
  O  O85  1  0.59094170  0.82145663  0.77732474  1
  O  O86  1  0.40905753  0.17855076  0.22268096  1
  O  O87  1  0.38593361  0.87133380  0.85152121  1
  O  O88  1  0.61407262  0.12868902  0.14848468  1
  O  O89  1  0.74392577  0.01339578  0.96993809  1
  O  O90  1  0.25604494  0.98660005  0.03003383  1
  O  O91  1  0.93191485  0.13123440  0.92850959  1
  O  O92  1  0.06806406  0.86876708  0.07147731  1
  O  O93  1  0.90910165  0.67279357  0.88217814  1
  O  O94  1  0.09087836  0.32722125  0.11781211  1
  O  O95  1  0.90200816  0.93087451  0.79007337  1
  O  O96  1  0.09797860  0.06912997  0.20992374  1
