# generated using pymatgen data_Na3(CuO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.01880757 _cell_length_b 5.65107550 _cell_length_c 8.14591397 _cell_angle_alpha 67.82769805 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3(CuO2)2 _chemical_formula_sum 'Na12 Cu8 O16' _cell_volume 469.72257498 _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 Na Na0 1 0.10222681 0.86133309 0.95097722 1.0 Na Na1 1 0.20226080 0.10329352 0.62292505 1.0 Na Na2 1 0.60222681 0.13866691 0.54902278 1.0 Na Na3 1 0.39777319 0.86133309 0.45097722 1.0 Na Na4 1 0.29773920 0.10329352 0.12292505 1.0 Na Na5 1 0.79773920 0.89670648 0.37707495 1.0 Na Na6 1 0.92136154 0.10311397 0.62061362 1.0 Na Na7 1 0.89777319 0.13866691 0.04902278 1.0 Na Na8 1 0.42136154 0.89688603 0.87938638 1.0 Na Na9 1 0.70226080 0.89670648 0.87707495 1.0 Na Na10 1 0.07863846 0.89688603 0.37938638 1.0 Na Na11 1 0.57863846 0.10311397 0.12061362 1.0 Cu Cu12 1 0.17313227 0.49746280 0.76226166 1.0 Cu Cu13 1 0.32686773 0.49746280 0.26226166 1.0 Cu Cu14 1 0.42450174 0.46856075 0.77214449 1.0 Cu Cu15 1 0.67313227 0.50253720 0.73773834 1.0 Cu Cu16 1 0.82686773 0.50253720 0.23773834 1.0 Cu Cu17 1 0.92450174 0.53143925 0.72785551 1.0 Cu Cu18 1 0.07549826 0.46856075 0.27214449 1.0 Cu Cu19 1 0.57549826 0.53143925 0.22785551 1.0 O O20 1 0.69949971 0.28050741 0.27291225 1.0 O O21 1 0.54644794 0.72707059 0.70993865 1.0 O O22 1 0.80050029 0.28050741 0.77291225 1.0 O O23 1 0.19949971 0.71949259 0.22708775 1.0 O O24 1 0.78952316 0.76092082 0.67483456 1.0 O O25 1 0.05830000 0.76071440 0.69482818 1.0 O O26 1 0.55830000 0.23928560 0.80517182 1.0 O O27 1 0.30050029 0.71949259 0.72708775 1.0 O O28 1 0.45355206 0.27292941 0.29006135 1.0 O O29 1 0.28952316 0.23907918 0.82516544 1.0 O O30 1 0.94170000 0.23928560 0.30517182 1.0 O O31 1 0.21047684 0.23907918 0.32516544 1.0 O O32 1 0.04644794 0.27292941 0.79006135 1.0 O O33 1 0.95355206 0.72707059 0.20993865 1.0 O O34 1 0.44170000 0.76071440 0.19482818 1.0 O O35 1 0.71047684 0.76092082 0.17483456 1.0