# generated using pymatgen data_Cu4As2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51290900 _cell_length_b 8.32979400 _cell_length_c 14.08438600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu4As2O9 _chemical_formula_sum 'Cu16 As8 O36' _cell_volume 764.09470530 _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 0.25000000 0.36505700 0.05038700 1.0 Cu Cu1 1 0.75000000 0.63494300 0.94961300 1.0 Cu Cu2 1 0.25000000 0.86505700 0.44961300 1.0 Cu Cu3 1 0.75000000 0.13494300 0.55038700 1.0 Cu Cu4 1 0.50723300 0.35297300 0.84514900 1.0 Cu Cu5 1 0.00723300 0.64702700 0.15485100 1.0 Cu Cu6 1 0.99276700 0.85297300 0.65485100 1.0 Cu Cu7 1 0.49276700 0.14702700 0.34514900 1.0 Cu Cu8 1 0.49276700 0.64702700 0.15485100 1.0 Cu Cu9 1 0.99276700 0.35297300 0.84514900 1.0 Cu Cu10 1 0.00723300 0.14702700 0.34514900 1.0 Cu Cu11 1 0.50723300 0.85297300 0.65485100 1.0 Cu Cu12 1 0.25000000 0.57358300 0.58675800 1.0 Cu Cu13 1 0.75000000 0.42641700 0.41324200 1.0 Cu Cu14 1 0.25000000 0.07358300 0.91324200 1.0 Cu Cu15 1 0.75000000 0.92641700 0.08675800 1.0 As As16 1 0.25000000 0.50042800 0.34352800 1.0 As As17 1 0.75000000 0.49957200 0.65647200 1.0 As As18 1 0.25000000 0.00042800 0.15647200 1.0 As As19 1 0.75000000 0.99957200 0.84352800 1.0 As As20 1 0.25000000 0.15577200 0.59044600 1.0 As As21 1 0.75000000 0.84422800 0.40955400 1.0 As As22 1 0.25000000 0.65577200 0.90955400 1.0 As As23 1 0.75000000 0.34422800 0.09044700 1.0 O O24 1 0.25000000 0.35396100 0.61585600 1.0 O O25 1 0.75000000 0.64603900 0.38414400 1.0 O O26 1 0.25000000 0.85396100 0.88414400 1.0 O O27 1 0.75000000 0.14603900 0.11585600 1.0 O O28 1 0.25000000 0.31065800 0.90837400 1.0 O O29 1 0.75000000 0.68934200 0.09162600 1.0 O O30 1 0.25000000 0.81065800 0.59162600 1.0 O O31 1 0.75000000 0.18934200 0.40837400 1.0 O O32 1 0.53332900 0.62007500 0.64793500 1.0 O O33 1 0.03332900 0.37992500 0.35206500 1.0 O O34 1 0.96667100 0.12007500 0.85206500 1.0 O O35 1 0.46667100 0.87992500 0.14793500 1.0 O O36 1 0.46667100 0.37992500 0.35206500 1.0 O O37 1 0.96667100 0.62007500 0.64793500 1.0 O O38 1 0.25000000 0.63033500 0.43908700 1.0 O O39 1 0.03332900 0.87992500 0.14793500 1.0 O O40 1 0.47499200 0.58169000 0.85805300 1.0 O O41 1 0.97499200 0.41831000 0.14194700 1.0 O O42 1 0.02500800 0.08169000 0.64194700 1.0 O O43 1 0.52500800 0.91831000 0.35805300 1.0 O O44 1 0.52500800 0.41831000 0.14194700 1.0 O O45 1 0.02500800 0.58169000 0.85805300 1.0 O O46 1 0.97499200 0.91831000 0.35805300 1.0 O O47 1 0.47499200 0.08169000 0.64194700 1.0 O O48 1 0.75000000 0.88514300 0.73863200 1.0 O O49 1 0.25000000 0.11485700 0.26136800 1.0 O O50 1 0.75000000 0.38514300 0.76136800 1.0 O O51 1 0.25000000 0.61485700 0.23863200 1.0 O O52 1 0.75000000 0.89961400 0.52867900 1.0 O O53 1 0.25000000 0.10038600 0.47132100 1.0 O O54 1 0.75000000 0.39961400 0.97132100 1.0 O O55 1 0.25000000 0.60038600 0.02867900 1.0 O O56 1 0.75000000 0.86966500 0.93908700 1.0 O O57 1 0.25000000 0.13033500 0.06091300 1.0 O O58 1 0.75000000 0.36966500 0.56091300 1.0 O O59 1 0.53332900 0.12007500 0.85206500 1.0