# generated using pymatgen data_K2Mn7H18(C9O20)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13298251 _cell_length_b 12.77707325 _cell_length_c 15.99115653 _cell_angle_alpha 97.45092052 _cell_angle_beta 109.93588389 _cell_angle_gamma 119.84107985 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2Mn7H18(C9O20)2 _chemical_formula_sum 'K2 Mn7 H18 C18 O40' _cell_volume 1105.44461960 _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 K K0 1 0.37349300 0.46187800 0.83325600 1.0 K K1 1 0.62650700 0.53812200 0.16674400 1.0 Mn Mn2 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn3 1 0.54103300 0.79904900 0.57273300 1.0 Mn Mn4 1 0.45896700 0.20095100 0.42726700 1.0 Mn Mn5 1 0.81407400 0.75125000 0.76536200 1.0 Mn Mn6 1 0.18592600 0.24875000 0.23463800 1.0 Mn Mn7 1 0.92845200 0.04582800 0.78929100 1.0 Mn Mn8 1 0.07154800 0.95417200 0.21070900 1.0 H H9 1 0.17293500 0.68114500 0.81485600 1.0 H H10 1 0.82706500 0.31885500 0.18514400 1.0 H H11 1 0.89883400 0.21141500 0.94092000 1.0 H H12 1 0.10116600 0.78858500 0.05908000 1.0 H H13 1 0.64009000 0.86131000 0.95037000 1.0 H H14 1 0.35991000 0.13869000 0.04963000 1.0 H H15 1 0.52873200 0.06796800 0.91856100 1.0 H H16 1 0.47126800 0.93203200 0.08143900 1.0 H H17 1 0.01865100 0.12856700 0.56016500 1.0 H H18 1 0.98134900 0.87143300 0.43983500 1.0 H H19 1 0.29323600 0.99321800 0.66386900 1.0 H H20 1 0.70676400 0.00678200 0.33613100 1.0 H H21 1 0.07351800 0.48189900 0.60515000 1.0 H H22 1 0.92648200 0.51810100 0.39485000 1.0 H H23 1 0.90319600 0.64265100 0.54925500 1.0 H H24 1 0.09680400 0.35734900 0.45074500 1.0 H H25 1 0.52541000 0.74954900 0.37516700 1.0 H H26 1 0.47459000 0.25045100 0.62483300 1.0 C C27 1 0.06701000 0.64175700 0.85349500 1.0 C C28 1 0.93299000 0.35824300 0.14650500 1.0 C C29 1 0.05053100 0.27879300 0.92847100 1.0 C C30 1 0.94946900 0.72120700 0.07152900 1.0 C C31 1 0.72354300 0.87430700 0.90227600 1.0 C C32 1 0.27645700 0.12569300 0.09772400 1.0 C C33 1 0.32803400 0.01632800 0.87738200 1.0 C C34 1 0.67196600 0.98367200 0.12261800 1.0 C C35 1 0.93621000 0.06794400 0.59813200 1.0 C C36 1 0.06379000 0.93205600 0.40186800 1.0 C C37 1 0.42921600 0.97303200 0.66728900 1.0 C C38 1 0.57078400 0.02696800 0.33271100 1.0 C C39 1 0.25863900 0.56629400 0.62330400 1.0 C C40 1 0.74136100 0.43370600 0.37669600 1.0 C C41 1 0.82981200 0.68047100 0.58522000 1.0 C C42 1 0.17018800 0.31952900 0.41478000 1.0 C C43 1 0.33495200 0.70895800 0.36206000 1.0 C C44 1 0.66504800 0.29104200 0.63794000 1.0 O O45 1 0.14615800 0.60295300 0.91581000 1.0 O O46 1 0.85384200 0.39704700 0.08419000 1.0 O O47 1 0.16602100 0.39972700 0.96868600 1.0 O O48 1 0.83397900 0.60027300 0.03131400 1.0 O O49 1 0.73121100 0.38957500 0.90063900 1.0 O O50 1 0.26878900 0.61042500 0.09936100 1.0 O O51 1 0.87509200 0.64020100 0.83192300 1.0 O O52 1 0.12490800 0.35979900 0.16807700 1.0 O O53 1 0.10858600 0.23167000 0.87437300 1.0 O O54 1 0.89141400 0.76833000 0.12562700 1.0 O O55 1 0.76371500 0.86601700 0.70821300 1.0 O O56 1 0.23628500 0.13398300 0.29178700 1.0 O O57 1 0.69006500 0.77130000 0.85745200 1.0 O O58 1 0.30993500 0.22870000 0.14254800 1.0 O O59 1 0.19494300 0.89955700 0.86775200 1.0 O O60 1 0.80505700 0.10044300 0.13224800 1.0 O O61 1 0.44007600 0.57599500 0.68425000 1.0 O O62 1 0.55992400 0.42400500 0.31575000 1.0 O O63 1 0.91942500 0.70424400 0.67481000 1.0 O O64 1 0.08057500 0.29575600 0.32519000 1.0 O O65 1 0.83668400 0.98431700 0.89757600 1.0 O O66 1 0.16331600 0.01568300 0.10242400 1.0 O O67 1 0.26083700 0.08472700 0.84567600 1.0 O O68 1 0.73916300 0.91527300 0.15432400 1.0 O O69 1 0.00770100 0.12428600 0.68435200 1.0 O O70 1 0.99229900 0.87571400 0.31564800 1.0 O O71 1 0.62396700 0.03856300 0.74694100 1.0 O O72 1 0.37603300 0.96143700 0.25305900 1.0 O O73 1 0.77859900 0.94736200 0.54652800 1.0 O O74 1 0.22140100 0.05263800 0.45347200 1.0 O O75 1 0.37202200 0.89038700 0.59377200 1.0 O O76 1 0.62797800 0.10961300 0.40622800 1.0 O O77 1 0.26036300 0.64175400 0.57837100 1.0 O O78 1 0.73963700 0.35824600 0.42162900 1.0 O O79 1 0.67267900 0.69545100 0.53410100 1.0 O O80 1 0.32732100 0.30454900 0.46589900 1.0 O O81 1 0.30391700 0.72508000 0.43773600 1.0 O O82 1 0.69608300 0.27492000 0.56226400 1.0 O O83 1 0.16125500 0.65130200 0.28049300 1.0 O O84 1 0.83874500 0.34869800 0.71950700 1.0