# generated using pymatgen data_Co2H34N12Cl3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99019600 _cell_length_b 8.90920900 _cell_length_c 17.65706400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2H34N12Cl3O10 _chemical_formula_sum 'Co4 H68 N24 Cl6 O20' _cell_volume 1099.63104263 _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 Co Co0 1 0.50000000 0.65011900 0.39340700 1.0 Co Co1 1 0.50000000 0.34988100 0.60659300 1.0 Co Co2 1 0.00000000 0.84988100 0.89340700 1.0 Co Co3 1 0.00000000 0.15011900 0.10659300 1.0 H H4 1 0.22366100 0.47193500 0.37674900 1.0 H H5 1 0.27633900 0.02806500 0.87674900 1.0 H H6 1 0.30089500 0.11202400 0.18444900 1.0 H H7 1 0.11458300 0.63770500 0.11975400 1.0 H H8 1 0.79180800 0.68602000 0.47489100 1.0 H H9 1 0.00000000 0.58879300 0.84079600 1.0 H H10 1 0.28598900 0.32372300 0.08743500 1.0 H H11 1 0.27633900 0.97193500 0.12325100 1.0 H H12 1 0.72366100 0.97193500 0.12325100 1.0 H H13 1 0.34848000 0.46949100 0.29694000 1.0 H H14 1 0.69910500 0.11202400 0.18444900 1.0 H H15 1 0.20819200 0.31398000 0.52510900 1.0 H H16 1 0.61721700 0.79844300 0.27989000 1.0 H H17 1 0.85117700 0.66774800 0.98901600 1.0 H H18 1 0.29180800 0.18602000 0.02510900 1.0 H H19 1 0.64882300 0.83225200 0.48901600 1.0 H H20 1 0.35117700 0.16774800 0.51098400 1.0 H H21 1 0.61458300 0.86229500 0.61975400 1.0 H H22 1 0.77633900 0.52806500 0.62325100 1.0 H H23 1 0.69910500 0.88797600 0.81555100 1.0 H H24 1 0.11721700 0.29844300 0.22011000 1.0 H H25 1 0.14882300 0.33225200 0.01098400 1.0 H H26 1 0.84848000 0.03050900 0.79694000 1.0 H H27 1 0.50000000 0.08879300 0.65920400 1.0 H H28 1 0.34848000 0.53050900 0.70306000 1.0 H H29 1 0.61458300 0.13770500 0.38024600 1.0 H H30 1 0.22366100 0.52806500 0.62325100 1.0 H H31 1 0.84848000 0.96949100 0.20306000 1.0 H H32 1 0.88541700 0.36229500 0.88024600 1.0 H H33 1 0.29180800 0.81398000 0.97489100 1.0 H H34 1 0.79180800 0.31398000 0.52510900 1.0 H H35 1 0.19910500 0.61202400 0.31555100 1.0 H H36 1 0.28598900 0.67627700 0.91256500 1.0 H H37 1 0.80089500 0.61202400 0.31555100 1.0 H H38 1 0.35117700 0.83225200 0.48901600 1.0 H H39 1 0.21401100 0.17627700 0.58743500 1.0 H H40 1 0.61721700 0.20155700 0.72011000 1.0 H H41 1 0.71401100 0.32372300 0.08743500 1.0 H H42 1 0.11721700 0.70155700 0.77989000 1.0 H H43 1 0.38541700 0.86229500 0.61975400 1.0 H H44 1 0.70819200 0.81398000 0.97489100 1.0 H H45 1 0.78598900 0.82372300 0.41256500 1.0 H H46 1 0.38278300 0.79844300 0.27989000 1.0 H H47 1 0.50000000 0.91120700 0.34079600 1.0 H H48 1 0.72366100 0.02806500 0.87674900 1.0 H H49 1 0.65152000 0.53050900 0.70306000 1.0 H H50 1 0.77633900 0.47193500 0.37674900 1.0 H H51 1 0.88278300 0.70155700 0.77989000 1.0 H H52 1 0.71401100 0.67627700 0.91256500 1.0 H H53 1 0.85117700 0.33225200 0.01098400 1.0 H H54 1 0.88278300 0.29844300 0.22011000 1.0 H H55 1 0.88541700 0.63770500 0.11975400 1.0 H H56 1 0.64882300 0.16774800 0.51098400 1.0 H H57 1 0.14882300 0.66774800 0.98901600 1.0 H H58 1 0.15152000 0.96949100 0.20306000 1.0 H H59 1 0.70819200 0.18602000 0.02510900 1.0 H H60 1 0.11458300 0.36229500 0.88024600 1.0 H H61 1 0.78598900 0.17627700 0.58743500 1.0 H H62 1 0.21401100 0.82372300 0.41256500 1.0 H H63 1 0.15152000 0.03050900 0.79694000 1.0 H H64 1 0.19910500 0.38797600 0.68444900 1.0 H H65 1 0.38541700 0.13770500 0.38024600 1.0 H H66 1 0.00000000 0.41120700 0.15920400 1.0 H H67 1 0.20819200 0.68602000 0.47489100 1.0 H H68 1 0.30089500 0.88797600 0.81555100 1.0 H H69 1 0.80089500 0.38797600 0.68444900 1.0 H H70 1 0.65152000 0.46949100 0.29694000 1.0 H H71 1 0.38278300 0.20155700 0.72011000 1.0 N N72 1 0.79875000 0.73889700 0.94823900 1.0 N N73 1 0.20125000 0.26110300 0.05176100 1.0 N N74 1 0.79875000 0.26110300 0.05176100 1.0 N N75 1 0.50000000 0.33566700 0.87217400 1.0 N N76 1 0.79691900 0.03864500 0.16079000 1.0 N N77 1 0.00000000 0.16433300 0.37217400 1.0 N N78 1 0.00000000 0.83566700 0.62782600 1.0 N N79 1 0.70308100 0.53864500 0.33921000 1.0 N N80 1 0.70308100 0.46135500 0.66079000 1.0 N N81 1 0.29875000 0.76110300 0.44823900 1.0 N N82 1 0.00000000 0.30675800 0.18521000 1.0 N N83 1 0.29875000 0.23889700 0.55176100 1.0 N N84 1 0.20308100 0.03864500 0.16079000 1.0 N N85 1 0.00000000 0.69324200 0.81479000 1.0 N N86 1 0.70125000 0.23889700 0.55176100 1.0 N N87 1 0.29691900 0.46135500 0.66079000 1.0 N N88 1 0.70125000 0.76110300 0.44823900 1.0 N N89 1 0.29691900 0.53864500 0.33921000 1.0 N N90 1 0.50000000 0.19324200 0.68521000 1.0 N N91 1 0.50000000 0.66433300 0.12782600 1.0 N N92 1 0.20125000 0.73889700 0.94823900 1.0 N N93 1 0.79691900 0.96135500 0.83921000 1.0 N N94 1 0.50000000 0.80675800 0.31479000 1.0 N N95 1 0.20308100 0.96135500 0.83921000 1.0 Cl Cl96 1 0.00000000 0.18850500 0.70872500 1.0 Cl Cl97 1 0.50000000 0.31149500 0.20872500 1.0 Cl Cl98 1 0.50000000 0.68850500 0.79127500 1.0 Cl Cl99 1 0.50000000 0.00000000 0.00000000 1.0 Cl Cl100 1 0.00000000 0.81149500 0.29127500 1.0 Cl Cl101 1 0.00000000 0.50000000 0.50000000 1.0 O O102 1 0.50000000 0.41330000 0.93109000 1.0 O O103 1 0.34275900 0.29445500 0.84113300 1.0 O O104 1 0.65724100 0.70554500 0.15886700 1.0 O O105 1 0.00000000 0.98409700 0.03693000 1.0 O O106 1 0.00000000 0.01590300 0.96307000 1.0 O O107 1 0.50000000 0.08971700 0.40306800 1.0 O O108 1 0.84275900 0.79445500 0.65886700 1.0 O O109 1 0.84275900 0.20554500 0.34113300 1.0 O O110 1 0.50000000 0.58670000 0.06891000 1.0 O O111 1 0.65724100 0.29445500 0.84113300 1.0 O O112 1 0.50000000 0.91028300 0.59693200 1.0 O O113 1 0.00000000 0.41028300 0.90306800 1.0 O O114 1 0.00000000 0.91330000 0.56891000 1.0 O O115 1 0.00000000 0.58971700 0.09693200 1.0 O O116 1 0.00000000 0.08670000 0.43109000 1.0 O O117 1 0.15724100 0.79445500 0.65886700 1.0 O O118 1 0.34275900 0.70554500 0.15886700 1.0 O O119 1 0.50000000 0.48409700 0.46307000 1.0 O O120 1 0.50000000 0.51590300 0.53693000 1.0 O O121 1 0.15724100 0.20554500 0.34113300 1.0