# generated using pymatgen data_CuH9C4NO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39908500 _cell_length_b 9.62326300 _cell_length_c 14.72364900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuH9C4NO6 _chemical_formula_sum 'Cu4 H36 C16 N4 O24' _cell_volume 1048.37299925 _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 Cu Cu0 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu1 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu3 1 0.50000000 0.50000000 0.00000000 1.0 H H4 1 0.35032700 0.56881400 0.25000000 1.0 H H5 1 0.14967300 0.06881400 0.25000000 1.0 H H6 1 0.76483900 0.24748900 0.45097300 1.0 H H7 1 0.42017400 0.16249500 0.37969900 1.0 H H8 1 0.10758400 0.16783100 0.75000000 1.0 H H9 1 0.51072800 0.83666400 0.16049900 1.0 H H10 1 0.23516100 0.75251100 0.54902700 1.0 H H11 1 0.64967300 0.43118600 0.75000000 1.0 H H12 1 0.92017400 0.33750500 0.62030100 1.0 H H13 1 0.39241600 0.66783100 0.75000000 1.0 H H14 1 0.30421400 0.39287400 0.25000000 1.0 H H15 1 0.89241600 0.83216900 0.25000000 1.0 H H16 1 0.69578600 0.60712600 0.75000000 1.0 H H17 1 0.26483900 0.25251100 0.54902700 1.0 H H18 1 0.48927200 0.16333600 0.83950100 1.0 H H19 1 0.07982600 0.66249500 0.37969900 1.0 H H20 1 0.57982600 0.83750500 0.62030100 1.0 H H21 1 0.26483900 0.25251100 0.95097300 1.0 H H22 1 0.92017400 0.33750500 0.87969900 1.0 H H23 1 0.73516100 0.74748900 0.04902700 1.0 H H24 1 0.19578600 0.89287400 0.25000000 1.0 H H25 1 0.23516100 0.75251100 0.95097300 1.0 H H26 1 0.51072800 0.83666400 0.33950100 1.0 H H27 1 0.98927200 0.33666400 0.16049900 1.0 H H28 1 0.85032700 0.93118600 0.75000000 1.0 H H29 1 0.73516100 0.74748900 0.45097300 1.0 H H30 1 0.98927200 0.33666400 0.33950100 1.0 H H31 1 0.42017400 0.16249500 0.12030100 1.0 H H32 1 0.60758400 0.33216900 0.25000000 1.0 H H33 1 0.01072800 0.66333600 0.83950100 1.0 H H34 1 0.07982600 0.66249500 0.12030100 1.0 H H35 1 0.48927200 0.16333600 0.66049900 1.0 H H36 1 0.57982600 0.83750500 0.87969900 1.0 H H37 1 0.76483900 0.24748900 0.04902700 1.0 H H38 1 0.80421400 0.10712600 0.75000000 1.0 H H39 1 0.01072800 0.66333600 0.66049900 1.0 C C40 1 0.32306700 0.15799700 0.43600300 1.0 C C41 1 0.17693300 0.65799700 0.43600300 1.0 C C42 1 0.32306700 0.15799700 0.06399700 1.0 C C43 1 0.29108700 0.92516400 0.75000000 1.0 C C44 1 0.82306700 0.34200300 0.56399700 1.0 C C45 1 0.67693300 0.84200300 0.93600300 1.0 C C46 1 0.07502000 0.05555400 0.75000000 1.0 C C47 1 0.42498000 0.55555400 0.75000000 1.0 C C48 1 0.79108700 0.57483600 0.25000000 1.0 C C49 1 0.70891300 0.07483600 0.25000000 1.0 C C50 1 0.17693300 0.65799700 0.06399700 1.0 C C51 1 0.67693300 0.84200300 0.56399700 1.0 C C52 1 0.20891300 0.42516400 0.75000000 1.0 C C53 1 0.92498000 0.94444600 0.25000000 1.0 C C54 1 0.82306700 0.34200300 0.93600300 1.0 C C55 1 0.57502000 0.44444600 0.25000000 1.0 N N56 1 0.39710300 0.46992700 0.25000000 1.0 N N57 1 0.60289700 0.53007300 0.75000000 1.0 N N58 1 0.10289700 0.96992700 0.25000000 1.0 N N59 1 0.89710300 0.03007300 0.75000000 1.0 O O60 1 0.18892900 0.97954800 0.68096400 1.0 O O61 1 0.68892900 0.52045200 0.18096400 1.0 O O62 1 0.31107100 0.47954800 0.81903600 1.0 O O63 1 0.81107100 0.02045200 0.31903600 1.0 O O64 1 0.15055500 0.76089000 0.00195500 1.0 O O65 1 0.20462400 0.06443200 0.05853500 1.0 O O66 1 0.29537600 0.56443200 0.05853500 1.0 O O67 1 0.68892900 0.52045200 0.31903600 1.0 O O68 1 0.79537600 0.93556800 0.94146500 1.0 O O69 1 0.84944500 0.23911000 0.50195500 1.0 O O70 1 0.65055500 0.73911000 0.99804500 1.0 O O71 1 0.70462400 0.43556800 0.55853500 1.0 O O72 1 0.81107100 0.02045200 0.18096400 1.0 O O73 1 0.65055500 0.73911000 0.50195500 1.0 O O74 1 0.84944500 0.23911000 0.99804500 1.0 O O75 1 0.79537600 0.93556800 0.55853500 1.0 O O76 1 0.20462400 0.06443200 0.44146500 1.0 O O77 1 0.70462400 0.43556800 0.94146500 1.0 O O78 1 0.29537600 0.56443200 0.44146500 1.0 O O79 1 0.15055500 0.76089000 0.49804500 1.0 O O80 1 0.31107100 0.47954800 0.68096400 1.0 O O81 1 0.34944500 0.26089000 0.49804500 1.0 O O82 1 0.34944500 0.26089000 0.00195500 1.0 O O83 1 0.18892900 0.97954800 0.81903600 1.0