# generated using pymatgen data_Zn(CuO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94798205 _cell_length_b 5.94748765 _cell_length_c 17.81412391 _cell_angle_alpha 59.95163507 _cell_angle_beta 59.95286035 _cell_angle_gamma 59.98902078 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn(CuO2)2 _chemical_formula_sum 'Zn6 Cu12 O24' _cell_volume 445.24887603 _cell_formula_units_Z 6 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 Zn Zn0 1 0.12161300 0.12170600 0.04504600 1.0 Zn Zn1 1 0.12393400 0.12408500 0.37599900 1.0 Zn Zn2 1 0.50012400 0.50000100 0.99983900 1.0 Zn Zn3 1 0.12334600 0.12327300 0.71000700 1.0 Zn Zn4 1 0.87751500 0.87734500 0.28926900 1.0 Zn Zn5 1 0.87479400 0.87483100 0.62519400 1.0 Cu Cu6 1 0.00002700 0.50004700 0.16666100 1.0 Cu Cu7 1 0.50005400 0.50004200 0.16660600 1.0 Cu Cu8 1 0.99981500 0.50010200 0.50001000 1.0 Cu Cu9 1 0.50008200 0.00002000 0.16664000 1.0 Cu Cu10 1 0.49844600 0.49838100 0.33484900 1.0 Cu Cu11 1 0.50005400 0.50010300 0.49998400 1.0 Cu Cu12 1 0.00013300 0.49949300 0.83362100 1.0 Cu Cu13 1 0.50007200 0.99980500 0.50002100 1.0 Cu Cu14 1 0.49949300 0.00015100 0.83360700 1.0 Cu Cu15 1 0.50082800 0.50084100 0.66587900 1.0 Cu Cu16 1 0.49960700 0.49962600 0.83355700 1.0 Cu Cu17 1 0.87673700 0.87663300 0.95658800 1.0 O O18 1 0.25311400 0.25359100 0.09249800 1.0 O O19 1 0.25912300 0.25922900 0.24103400 1.0 O O20 1 0.25294200 0.71576800 0.09266900 1.0 O O21 1 0.71578300 0.25329100 0.09259800 1.0 O O22 1 0.28999900 0.73796600 0.24463400 1.0 O O23 1 0.26100100 0.26100500 0.42029100 1.0 O O24 1 0.73833400 0.28993400 0.24457300 1.0 O O25 1 0.74471800 0.74449000 0.08846600 1.0 O O26 1 0.26135400 0.71725000 0.42009400 1.0 O O27 1 0.26020100 0.26029200 0.57282500 1.0 O O28 1 0.73847700 0.73799200 0.24464400 1.0 O O29 1 0.71717700 0.26138200 0.42010400 1.0 O O30 1 0.28258900 0.73908800 0.57964500 1.0 O O31 1 0.26184400 0.26128200 0.75437800 1.0 O O32 1 0.73913700 0.28263000 0.57960900 1.0 O O33 1 0.74067900 0.74065400 0.42624000 1.0 O O34 1 0.25906600 0.25870500 0.90800100 1.0 O O35 1 0.26141500 0.71393300 0.75422600 1.0 O O36 1 0.73945300 0.73941800 0.57950900 1.0 O O37 1 0.71380400 0.26109500 0.75429200 1.0 O O38 1 0.27763900 0.74953800 0.90820000 1.0 O O39 1 0.73795800 0.73835600 0.76163500 1.0 O O40 1 0.74912700 0.27753100 0.90827400 1.0 O O41 1 0.74839100 0.74909800 0.90818200 1.0