# generated using pymatgen data_CuH11C4(NO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97937800 _cell_length_b 8.99644161 _cell_length_c 9.28616040 _cell_angle_alpha 108.11147628 _cell_angle_beta 98.62620227 _cell_angle_gamma 95.59276338 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuH11C4(NO5)2 _chemical_formula_sum 'Cu2 H22 C8 N4 O20' _cell_volume 541.43672936 _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 Cu Cu0 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu1 1 0.50000000 0.00000000 0.50000000 1.0 H H2 1 0.36519400 0.60153100 0.67838400 1.0 H H3 1 0.63480600 0.39846900 0.32161600 1.0 H H4 1 0.17476000 0.26476900 0.28984200 1.0 H H5 1 0.82524000 0.73523100 0.71015800 1.0 H H6 1 0.97359800 0.32868800 0.36515600 1.0 H H7 1 0.02640200 0.67131200 0.63484400 1.0 H H8 1 0.17807300 0.29267900 0.47579200 1.0 H H9 1 0.82192700 0.70732100 0.52420800 1.0 H H10 1 0.19438400 0.45096300 0.41772900 1.0 H H11 1 0.80561600 0.54903700 0.58227100 1.0 H H12 1 0.28409100 0.50869700 0.99167000 1.0 H H13 1 0.71590900 0.49130300 0.00833000 1.0 H H14 1 0.34613000 0.32386300 0.93161300 1.0 H H15 1 0.65387000 0.67613700 0.06838700 1.0 H H16 1 0.11824500 0.35882200 0.86057900 1.0 H H17 1 0.88175500 0.64117800 0.13942100 1.0 H H18 1 0.17743200 0.35944600 0.04448100 1.0 H H19 1 0.82256800 0.64055400 0.95551900 1.0 H H20 1 0.00609200 0.94407800 0.31578700 1.0 H H21 1 0.99390800 0.05592200 0.68421300 1.0 H H22 1 0.79149700 0.97601700 0.25618900 1.0 H H23 1 0.20850300 0.02398300 0.74381100 1.0 C C24 1 0.62870600 0.00065900 0.86548500 1.0 C C25 1 0.37129400 0.99934100 0.13451500 1.0 C C26 1 0.71552900 0.17630000 0.96056300 1.0 C C27 1 0.28447100 0.82370000 0.03943700 1.0 C C28 1 0.55956100 0.31950400 0.64055400 1.0 C C29 1 0.44043900 0.68049600 0.35944600 1.0 C C30 1 0.76487500 0.26763600 0.64886600 1.0 C C31 1 0.23512500 0.73236400 0.35113400 1.0 N N32 1 0.12936500 0.33402400 0.38675300 1.0 N N33 1 0.87063500 0.66597600 0.61324700 1.0 N N34 1 0.23139600 0.38709700 0.95696700 1.0 N N35 1 0.76860400 0.61290300 0.04303300 1.0 O O36 1 0.74235200 0.89845800 0.88081100 1.0 O O37 1 0.25764800 0.10154200 0.11918900 1.0 O O38 1 0.89527800 0.19809000 0.03009300 1.0 O O39 1 0.10472200 0.80191000 0.96990700 1.0 O O40 1 0.46593900 0.96702500 0.77904800 1.0 O O41 1 0.53406100 0.03297500 0.22095200 1.0 O O42 1 0.61581400 0.28361900 0.95934200 1.0 O O43 1 0.38418600 0.71638100 0.04065800 1.0 O O44 1 0.41433200 0.20452200 0.57113500 1.0 O O45 1 0.58566800 0.79547800 0.42886500 1.0 O O46 1 0.76309900 0.11618000 0.58969800 1.0 O O47 1 0.23690100 0.88382000 0.41030200 1.0 O O48 1 0.54215200 0.45906500 0.70353700 1.0 O O49 1 0.45784800 0.54093500 0.29646300 1.0 O O50 1 0.91470500 0.36593900 0.71649500 1.0 O O51 1 0.08529500 0.63406100 0.28350500 1.0 O O52 1 0.92793400 0.98321200 0.24224500 1.0 O O53 1 0.07206600 0.01678800 0.75775500 1.0 O O54 1 0.26513100 0.64855100 0.62661700 1.0 O O55 1 0.73486900 0.35144900 0.37338300 1.0