# generated using pymatgen data_Zn(CuO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94035429 _cell_length_b 5.94035429 _cell_length_c 19.68024441 _cell_angle_alpha 81.18076690 _cell_angle_beta 81.18076690 _cell_angle_gamma 60.19865194 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn(CuO2)2 _chemical_formula_sum 'Zn8 Cu16 O32' _cell_volume 593.09311554 _cell_formula_units_Z 8 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 0.64890200 0.64890200 0.02906500 1.0 Zn Zn1 1 0.12483000 0.12483000 0.12497200 1.0 Zn Zn2 1 0.89803500 0.89803500 0.28159100 1.0 Zn Zn3 1 0.37403300 0.37403300 0.37585500 1.0 Zn Zn4 1 0.62492700 0.62492700 0.62491000 1.0 Zn Zn5 1 0.50007900 0.50007900 0.49962300 1.0 Zn Zn6 1 0.87587200 0.87587200 0.87405800 1.0 Zn Zn7 1 0.74979700 0.74979700 0.75047700 1.0 Cu Cu8 1 0.62534500 0.12477100 0.12507000 1.0 Cu Cu9 1 0.25005800 0.25005800 0.24997500 1.0 Cu Cu10 1 0.12477100 0.62534500 0.12507000 1.0 Cu Cu11 1 0.15106600 0.15106600 0.53347800 1.0 Cu Cu12 1 0.87657400 0.37373600 0.37499800 1.0 Cu Cu13 1 0.59631400 0.59631400 0.21923100 1.0 Cu Cu14 1 0.40197300 0.40197300 0.78125200 1.0 Cu Cu15 1 0.37373600 0.87657400 0.37499800 1.0 Cu Cu16 1 0.12529400 0.62495000 0.62488100 1.0 Cu Cu17 1 0.84800400 0.84800400 0.46840100 1.0 Cu Cu18 1 0.62495000 0.12529400 0.62488100 1.0 Cu Cu19 1 0.87629000 0.37386600 0.87447600 1.0 Cu Cu20 1 0.37386600 0.87629000 0.87447600 1.0 Cu Cu21 1 0.09889900 0.09889900 0.71679100 1.0 Cu Cu22 1 0.99955500 0.99955500 0.00034800 1.0 Cu Cu23 1 0.34694800 0.34694800 0.96841100 1.0 O O24 1 0.27526000 0.81782700 0.06371600 1.0 O O25 1 0.93168400 0.93168400 0.17876900 1.0 O O26 1 0.81782700 0.27526000 0.06371600 1.0 O O27 1 0.81821800 0.81821800 0.06326200 1.0 O O28 1 0.43462000 0.43462000 0.18721400 1.0 O O29 1 0.52128700 0.06945700 0.31422000 1.0 O O30 1 0.43695900 0.97079700 0.18762100 1.0 O O31 1 0.18101900 0.18101900 0.43392000 1.0 O O32 1 0.06945700 0.52128700 0.31422000 1.0 O O33 1 0.32102100 0.32102100 0.07084900 1.0 O O34 1 0.06996300 0.06996300 0.31546200 1.0 O O35 1 0.97079700 0.43695900 0.18762100 1.0 O O36 1 0.78559900 0.30988100 0.56726500 1.0 O O37 1 0.68715200 0.68715200 0.43150200 1.0 O O38 1 0.69242800 0.21128700 0.43225300 1.0 O O39 1 0.43223400 0.43223400 0.68288100 1.0 O O40 1 0.30988100 0.78559900 0.56726500 1.0 O O41 1 0.56955900 0.56955900 0.31878300 1.0 O O42 1 0.31553600 0.31553600 0.56714600 1.0 O O43 1 0.21128700 0.69242800 0.43225300 1.0 O O44 1 0.93488200 0.93488200 0.68304800 1.0 O O45 1 0.04054500 0.55667200 0.81688500 1.0 O O46 1 0.94065600 0.46323000 0.68277000 1.0 O O47 1 0.68235000 0.68235000 0.92708300 1.0 O O48 1 0.55667200 0.04054500 0.81688500 1.0 O O49 1 0.81766400 0.81766400 0.56667400 1.0 O O50 1 0.56239900 0.56239900 0.81543800 1.0 O O51 1 0.46323000 0.94065600 0.68277000 1.0 O O52 1 0.18226900 0.18226900 0.93805900 1.0 O O53 1 0.18565000 0.72175100 0.93737400 1.0 O O54 1 0.06997400 0.06997400 0.81841400 1.0 O O55 1 0.72175100 0.18565000 0.93737400 1.0