# generated using pymatgen data_Cu3AsO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22859600 _cell_length_b 7.60895638 _cell_length_c 11.92469824 _cell_angle_alpha 98.97641136 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3AsO7 _chemical_formula_sum 'Cu12 As4 O28' _cell_volume 558.22703177 _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 0.63823100 0.19721400 0.16503900 1.0 Cu Cu1 1 0.13823100 0.80278600 0.33496100 1.0 Cu Cu2 1 0.36176900 0.80278600 0.83496100 1.0 Cu Cu3 1 0.86176900 0.19721400 0.66503900 1.0 Cu Cu4 1 0.88259000 0.20086700 0.37995000 1.0 Cu Cu5 1 0.38259000 0.79913300 0.12005000 1.0 Cu Cu6 1 0.11741000 0.79913300 0.62005000 1.0 Cu Cu7 1 0.61741000 0.20086700 0.87995000 1.0 Cu Cu8 1 0.86278300 0.62679000 0.09158800 1.0 Cu Cu9 1 0.36278300 0.37321000 0.40841200 1.0 Cu Cu10 1 0.13721700 0.37321000 0.90841200 1.0 Cu Cu11 1 0.63721700 0.62679000 0.59158800 1.0 As As12 1 0.65272700 0.69943000 0.32282900 1.0 As As13 1 0.15272700 0.30057000 0.17717100 1.0 As As14 1 0.34727300 0.30057000 0.67717100 1.0 As As15 1 0.84727300 0.69943000 0.82282900 1.0 O O16 1 0.58585600 0.57541500 0.42751000 1.0 O O17 1 0.08585600 0.42458500 0.07249000 1.0 O O18 1 0.41414400 0.42458500 0.57249000 1.0 O O19 1 0.91414400 0.57541500 0.92751000 1.0 O O20 1 0.84709000 0.85619000 0.36297500 1.0 O O21 1 0.34709000 0.14381000 0.13702500 1.0 O O22 1 0.15291000 0.14381000 0.63702500 1.0 O O23 1 0.65291000 0.85619000 0.86297500 1.0 O O24 1 0.43117100 0.82160500 0.28519900 1.0 O O25 1 0.93117100 0.17839500 0.21480100 1.0 O O26 1 0.56882900 0.17839500 0.71480100 1.0 O O27 1 0.06882900 0.82160500 0.78519900 1.0 O O28 1 0.72501800 0.53682500 0.21311700 1.0 O O29 1 0.22501800 0.46317500 0.28688300 1.0 O O30 1 0.27498200 0.46317500 0.78688300 1.0 O O31 1 0.77498200 0.53682500 0.71311700 1.0 O O32 1 0.71245200 0.23668100 0.02311000 1.0 O O33 1 0.21245200 0.76331900 0.47689000 1.0 O O34 1 0.28754800 0.76331900 0.97689000 1.0 O O35 1 0.78754800 0.23668100 0.52311000 1.0 O O36 1 0.10357500 0.79120700 0.17706000 1.0 O O37 1 0.60357500 0.20879300 0.32294000 1.0 O O38 1 0.89642500 0.20879300 0.82294000 1.0 O O39 1 0.39642500 0.79120700 0.67706000 1.0 O O40 1 0.66811200 0.81359700 0.09832100 1.0 O O41 1 0.16811200 0.18640300 0.40167900 1.0 O O42 1 0.33188800 0.18640300 0.90167900 1.0 O O43 1 0.83188800 0.81359700 0.59832100 1.0