# generated using pymatgen data_Zn(CuO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91960152 _cell_length_b 5.91963000 _cell_length_c 17.73811493 _cell_angle_alpha 59.96300095 _cell_angle_beta 59.96267736 _cell_angle_gamma 60.04597452 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn(CuO2)2 _chemical_formula_sum 'Zn6 Cu12 O24' _cell_volume 439.42608746 _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 0.12009700 0.12011000 0.04659600 1.0 Zn Zn1 1 0.12087300 0.12087000 0.37906900 1.0 Zn Zn2 1 0.49972500 0.49973400 0.33371500 1.0 Zn Zn3 1 0.12261200 0.12260700 0.71065300 1.0 Zn Zn4 1 0.50062300 0.50064100 0.99934200 1.0 Zn Zn5 1 0.87670400 0.87669700 0.62332500 1.0 Cu Cu6 1 0.49950000 0.49949400 0.16710000 1.0 Cu Cu7 1 0.49953300 0.99979100 0.16707200 1.0 Cu Cu8 1 0.50026100 0.50025000 0.50002000 1.0 Cu Cu9 1 0.99979600 0.49953100 0.16706700 1.0 Cu Cu10 1 0.50047200 0.99924600 0.49999100 1.0 Cu Cu11 1 0.50000500 0.50000700 0.66670300 1.0 Cu Cu12 1 0.87768600 0.87769000 0.28908600 1.0 Cu Cu13 1 0.49955100 0.49954900 0.83363200 1.0 Cu Cu14 1 0.99924700 0.50046400 0.49998300 1.0 Cu Cu15 1 0.49953000 0.99976700 0.83367900 1.0 Cu Cu16 1 0.99978300 0.49953400 0.83368800 1.0 Cu Cu17 1 0.87604600 0.87606400 0.95727700 1.0 O O18 1 0.25437600 0.25435300 0.09255700 1.0 O O19 1 0.25634200 0.25632700 0.24388100 1.0 O O20 1 0.25404600 0.71361700 0.09262800 1.0 O O21 1 0.71361600 0.25403700 0.09263000 1.0 O O22 1 0.25306700 0.25301500 0.42633400 1.0 O O23 1 0.28288800 0.74887600 0.23988700 1.0 O O24 1 0.25861700 0.25865300 0.57488000 1.0 O O25 1 0.74886200 0.28289500 0.23988600 1.0 O O26 1 0.74502800 0.74505800 0.08797200 1.0 O O27 1 0.25283300 0.71521600 0.42620700 1.0 O O28 1 0.71522200 0.25280000 0.42621600 1.0 O O29 1 0.74853600 0.74856000 0.23997500 1.0 O O30 1 0.26273200 0.26278000 0.75361000 1.0 O O31 1 0.28878900 0.73906600 0.57792900 1.0 O O32 1 0.73902400 0.28878000 0.57794200 1.0 O O33 1 0.25843700 0.25844500 0.90822400 1.0 O O34 1 0.74591200 0.74586600 0.42081700 1.0 O O35 1 0.26251200 0.71380900 0.75350600 1.0 O O36 1 0.71379600 0.26254900 0.75350700 1.0 O O37 1 0.73880500 0.73886600 0.57782200 1.0 O O38 1 0.27617000 0.74954200 0.90838400 1.0 O O39 1 0.74958800 0.27615900 0.90837900 1.0 O O40 1 0.73935300 0.73933200 0.76051100 1.0 O O41 1 0.74939900 0.74935300 0.90831300 1.0