# generated using pymatgen data_VH20C2S2N6O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39776100 _cell_length_b 12.48422871 _cell_length_c 19.49368129 _cell_angle_alpha 106.68559611 _cell_angle_beta 94.23131053 _cell_angle_gamma 90.07504676 _symmetry_Int_Tables_number 1 _chemical_formula_structural VH20C2S2N6O13 _chemical_formula_sum 'V4 H80 C8 S8 N24 O52' _cell_volume 1719.36404142 _cell_formula_units_Z 4 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 0.44289100 0.60512600 0.79198500 1.0 V V1 1 0.55710900 0.39487400 0.20801500 1.0 V V2 1 0.97546500 0.10341400 0.79039500 1.0 V V3 1 0.02453500 0.89658600 0.20960500 1.0 H H4 1 0.39151200 0.38902700 0.77957900 1.0 H H5 1 0.60848800 0.61097300 0.22042100 1.0 H H6 1 0.19579000 0.42654200 0.74911100 1.0 H H7 1 0.80421000 0.57345800 0.25088900 1.0 H H8 1 0.49785600 0.79769500 0.75581000 1.0 H H9 1 0.50214400 0.20230500 0.24419000 1.0 H H10 1 0.69631000 0.75383000 0.78170200 1.0 H H11 1 0.30369000 0.24617000 0.21829800 1.0 H H12 1 0.79062100 0.54922700 0.79246600 1.0 H H13 1 0.20937900 0.45077300 0.20753400 1.0 H H14 1 0.70095100 0.48584600 0.71254800 1.0 H H15 1 0.29904900 0.51415400 0.28745200 1.0 H H16 1 0.29675200 0.51204800 0.65012600 1.0 H H17 1 0.70324800 0.48795200 0.34987400 1.0 H H18 1 0.38995600 0.62772400 0.65013600 1.0 H H19 1 0.61004400 0.37227600 0.34986400 1.0 H H20 1 0.97723500 0.12600700 0.64891100 1.0 H H21 1 0.02276500 0.87399300 0.35108900 1.0 H H22 1 0.07058400 0.01056600 0.64886300 1.0 H H23 1 0.92941600 0.98943400 0.35113700 1.0 H H24 1 0.20602800 0.92481900 0.74819000 1.0 H H25 1 0.79397200 0.07518100 0.25181000 1.0 H H26 1 0.02157600 0.88744100 0.77867500 1.0 H H27 1 0.97842400 0.11255900 0.22132500 1.0 H H28 1 0.68660100 0.98401500 0.71192400 1.0 H H29 1 0.31339900 0.01598500 0.28807600 1.0 H H30 1 0.62596000 0.04934800 0.79151000 1.0 H H31 1 0.37404000 0.95065200 0.20849000 1.0 H H32 1 0.71843900 0.25208300 0.78032100 1.0 H H33 1 0.28156100 0.74791700 0.21967900 1.0 H H34 1 0.90741100 0.29676100 0.75547200 1.0 H H35 1 0.09258900 0.70323900 0.24452800 1.0 H H36 1 0.74260200 0.53962800 0.58527000 1.0 H H37 1 0.25739800 0.46037200 0.41473000 1.0 H H38 1 0.61771900 0.65584600 0.57752200 1.0 H H39 1 0.38228100 0.34415400 0.42247800 1.0 H H40 1 0.77143900 0.82187700 0.58326700 1.0 H H41 1 0.22856100 0.17812300 0.41673300 1.0 H H42 1 0.00399700 0.81846300 0.57080800 1.0 H H43 1 0.99600300 0.18153700 0.42919200 1.0 H H44 1 0.16786300 0.66072100 0.56969100 1.0 H H45 1 0.83213700 0.33927900 0.43030900 1.0 H H46 1 0.05277900 0.53694600 0.56911600 1.0 H H47 1 0.94722100 0.46305400 0.43088400 1.0 H H48 1 0.34667600 0.44403700 0.04364800 1.0 H H49 1 0.65332400 0.55596300 0.95635200 1.0 H H50 1 0.36709300 0.57774200 0.10190400 1.0 H H51 1 0.63290700 0.42225800 0.89809600 1.0 H H52 1 0.21439400 0.41936500 0.92477500 1.0 H H53 1 0.78560600 0.58063500 0.07522500 1.0 H H54 1 0.10377600 0.53315500 0.90397800 1.0 H H55 1 0.89622400 0.46684500 0.09602200 1.0 H H56 1 0.21494400 0.72695900 0.07362800 1.0 H H57 1 0.78505600 0.27304100 0.92637200 1.0 H H58 1 0.15596000 0.71275100 0.98318000 1.0 H H59 1 0.84404000 0.28724900 0.01682000 1.0 H H60 1 0.72013600 0.15582500 0.57822200 1.0 H H61 1 0.27986400 0.84417500 0.42177800 1.0 H H62 1 0.59706100 0.03671000 0.58132500 1.0 H H63 1 0.40293900 0.96329000 0.41867500 1.0 H H64 1 0.28280300 0.03694700 0.56876500 1.0 H H65 1 0.71719700 0.96305300 0.43123500 1.0 H H66 1 0.16701900 0.15906100 0.56613600 1.0 H H67 1 0.83298100 0.84093900 0.43386400 1.0 H H68 1 0.33324200 0.31824800 0.57361600 1.0 H H69 1 0.66675800 0.68175200 0.42638400 1.0 H H70 1 0.57207000 0.31954000 0.58059300 1.0 H H71 1 0.42793000 0.68046000 0.41940700 1.0 H H72 1 0.81313500 0.06186600 0.95669000 1.0 H H73 1 0.18686500 0.93813400 0.04331000 1.0 H H74 1 0.82570300 0.92804500 0.89878500 1.0 H H75 1 0.17429700 0.07195500 0.10121500 1.0 H H76 1 0.74600500 0.08167000 0.07709600 1.0 H H77 1 0.25399500 0.91833000 0.92290400 1.0 H H78 1 0.63882500 0.96782900 0.09612400 1.0 H H79 1 0.36117500 0.03217100 0.90387600 1.0 H H80 1 0.67006700 0.78868200 0.01751700 1.0 H H81 1 0.32993300 0.21131800 0.98248300 1.0 H H82 1 0.68542300 0.77568100 0.92634700 1.0 H H83 1 0.31457700 0.22431900 0.07365300 1.0 C C84 1 0.88992700 0.66907600 0.56962500 1.0 C C85 1 0.11007300 0.33092400 0.43037500 1.0 C C86 1 0.22651200 0.56718200 0.00579000 1.0 C C87 1 0.77348800 0.43281800 0.99421000 1.0 C C88 1 0.44517200 0.16836600 0.56841000 1.0 C C89 1 0.55482800 0.83163400 0.43159000 1.0 C C90 1 0.72431500 0.93523600 0.99484900 1.0 C C91 1 0.27568500 0.06476400 0.00515100 1.0 S S92 1 0.39573800 0.85634000 0.63437700 1.0 S S93 1 0.60426200 0.14366000 0.36562300 1.0 S S94 1 0.96426900 0.35710400 0.63522100 1.0 S S95 1 0.03573100 0.64289600 0.36477900 1.0 S S96 1 0.05599500 0.71437800 0.83905400 1.0 S S97 1 0.94400500 0.28562200 0.16094600 1.0 S S98 1 0.38101500 0.21455500 0.83859700 1.0 S S99 1 0.61898500 0.78544500 0.16140300 1.0 N N100 1 0.73648300 0.61311200 0.57169400 1.0 N N101 1 0.26351700 0.38688800 0.42830600 1.0 N N102 1 0.88440000 0.77599800 0.56854600 1.0 N N103 1 0.11560000 0.22400200 0.43145400 1.0 N N104 1 0.04818400 0.61651700 0.56481500 1.0 N N105 1 0.95181600 0.38348300 0.43518500 1.0 N N106 1 0.30719600 0.52430000 0.05591700 1.0 N N107 1 0.69280400 0.47570000 0.94408300 1.0 N N108 1 0.17473900 0.50061500 0.94039100 1.0 N N109 1 0.82526100 0.49938500 0.05960900 1.0 N N110 1 0.19390500 0.67625500 0.02266000 1.0 N N111 1 0.80609500 0.32374500 0.97734000 1.0 N N112 1 0.59887200 0.11300600 0.57192400 1.0 N N113 1 0.40112800 0.88699400 0.42807600 1.0 N N114 1 0.28460800 0.11483500 0.56157700 1.0 N N115 1 0.71539200 0.88516500 0.43842300 1.0 N N116 1 0.45115500 0.27525400 0.56808700 1.0 N N117 1 0.54884500 0.72474600 0.43191300 1.0 N N118 1 0.78299000 0.97874900 0.94501400 1.0 N N119 1 0.21701000 0.02125100 0.05498600 1.0 N N120 1 0.69635200 0.00048500 0.06038200 1.0 N N121 1 0.30364800 0.99951500 0.93961800 1.0 N N122 1 0.68907800 0.82521400 0.97784000 1.0 N N123 1 0.31092200 0.17478600 0.02216000 1.0 O O124 1 0.49300700 0.63055100 0.87803600 1.0 O O125 1 0.50699300 0.36944900 0.12196400 1.0 O O126 1 0.32307300 0.45240300 0.76971200 1.0 O O127 1 0.67692700 0.54759700 0.23028800 1.0 O O128 1 0.56202100 0.74613700 0.78013500 1.0 O O129 1 0.43797900 0.25386300 0.21986500 1.0 O O130 1 0.67506800 0.51676600 0.76339100 1.0 O O131 1 0.32493200 0.48323400 0.23660900 1.0 O O132 1 0.40290000 0.56282400 0.66947600 1.0 O O133 1 0.59710000 0.43717600 0.33052400 1.0 O O134 1 0.95727000 0.12885500 0.87625100 1.0 O O135 1 0.04273000 0.87114600 0.12374900 1.0 O O136 1 0.97137700 0.06079900 0.66794300 1.0 O O137 1 0.02862300 0.93920100 0.33205700 1.0 O O138 1 0.08648900 0.95058300 0.76864200 1.0 O O139 1 0.91351100 0.04941700 0.23135800 1.0 O O140 1 0.73086500 0.01671200 0.76277600 1.0 O O141 1 0.26913500 0.98328800 0.23722400 1.0 O O142 1 0.85193800 0.24425300 0.77901800 1.0 O O143 1 0.14806200 0.75574700 0.22098200 1.0 O O144 1 0.39643200 0.73283200 0.59932600 1.0 O O145 1 0.60356800 0.26716800 0.40067400 1.0 O O146 1 0.56902800 0.90915300 0.62389300 1.0 O O147 1 0.43097200 0.09084700 0.37610700 1.0 O O148 1 0.38232100 0.87664400 0.71372600 1.0 O O149 1 0.61767900 0.12335600 0.28627400 1.0 O O150 1 0.23748600 0.90624400 0.60380700 1.0 O O151 1 0.76251400 0.09375600 0.39619300 1.0 O O152 1 0.78843600 0.41050600 0.62376200 1.0 O O153 1 0.21156400 0.58949400 0.37623800 1.0 O O154 1 0.11408500 0.40720400 0.60646100 1.0 O O155 1 0.88591500 0.59279600 0.39353900 1.0 O O156 1 0.00559100 0.37629800 0.71465700 1.0 O O157 1 0.99440900 0.62370200 0.28534300 1.0 O O158 1 0.94840700 0.23376700 0.59928700 1.0 O O159 1 0.05159300 0.76623300 0.40071300 1.0 O O160 1 0.13474200 0.78305400 0.90946600 1.0 O O161 1 0.86525800 0.21694600 0.09053400 1.0 O O162 1 0.96311300 0.61320300 0.84635500 1.0 O O163 1 0.03688700 0.38679700 0.15364500 1.0 O O164 1 0.92576200 0.78060000 0.80548900 1.0 O O165 1 0.07423800 0.21940000 0.19451100 1.0 O O166 1 0.20389900 0.68091000 0.78752200 1.0 O O167 1 0.79610100 0.31909000 0.21247800 1.0 O O168 1 0.32859500 0.28231000 0.90913700 1.0 O O169 1 0.67140500 0.71769000 0.09086300 1.0 O O170 1 0.47889700 0.11416500 0.84594400 1.0 O O171 1 0.52110300 0.88583500 0.15405600 1.0 O O172 1 0.49719900 0.28222700 0.80557200 1.0 O O173 1 0.50280100 0.71777300 0.19442800 1.0 O O174 1 0.21401100 0.17951700 0.78678800 1.0 O O175 1 0.78598900 0.82048300 0.21321200 1.0