# generated using pymatgen data_Cu3(P3O16)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.09968399 _cell_length_b 6.49699903 _cell_length_c 9.82304485 _cell_angle_alpha 112.71167152 _cell_angle_beta 109.50056641 _cell_angle_gamma 84.96272377 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3(P3O16)2 _chemical_formula_sum 'Cu3 P6 O32' _cell_volume 615.28546420 _cell_formula_units_Z 1 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 0.00000000 0.00000000 0.00000000 1.0 Cu Cu1 1 0.38106300 0.53767700 0.62463000 1.0 Cu Cu2 1 0.61893700 0.46232300 0.37537000 1.0 P P3 1 0.22078400 0.93488800 0.55197800 1.0 P P4 1 0.77921600 0.06511200 0.44802200 1.0 P P5 1 0.19442600 0.15244200 0.87012200 1.0 P P6 1 0.80557400 0.84755800 0.12987800 1.0 P P7 1 0.05838000 0.68565000 0.23053600 1.0 P P8 1 0.94162000 0.31435000 0.76946400 1.0 O O9 1 0.24015300 0.14609900 0.53658600 1.0 O O10 1 0.75984600 0.85390100 0.46341400 1.0 O O11 1 0.32629300 0.76907500 0.55051800 1.0 O O12 1 0.67370700 0.23092500 0.44948200 1.0 O O13 1 0.17091500 0.96686700 0.69571500 1.0 O O14 1 0.82908500 0.03313300 0.30428500 1.0 O O15 1 0.09053200 0.79088200 0.41423500 1.0 O O16 1 0.90946800 0.20911800 0.58576500 1.0 O O17 1 0.85039200 0.95479500 0.04123500 1.0 O O18 1 0.14960800 0.04520500 0.95876500 1.0 O O19 1 0.67334900 0.74735700 0.05471200 1.0 O O20 1 0.32665100 0.25264300 0.94528800 1.0 O O21 1 0.09277700 0.33883800 0.83295700 1.0 O O22 1 0.90722300 0.66116200 0.16704300 1.0 O O23 1 0.10476800 0.42837200 0.18431500 1.0 O O24 1 0.89523200 0.57162800 0.81568500 1.0 O O25 1 0.87943000 0.20292900 0.83519900 1.0 O O26 1 0.12057000 0.79707100 0.16480100 1.0 O O27 1 0.28992900 0.61317100 0.77273700 1.0 O O28 1 0.71007100 0.38682900 0.22726300 1.0 O O29 1 0.37725300 0.66832000 0.92273500 1.0 O O30 1 0.62274700 0.33168000 0.07726500 1.0 O O31 1 0.02628100 0.26466100 0.18107700 1.0 O O32 1 0.97371900 0.73533900 0.81892300 1.0 O O33 1 0.61368000 0.68082300 0.65120400 1.0 O O34 1 0.38632000 0.31917700 0.34879600 1.0 O O35 1 0.33129900 0.65545000 0.01862300 1.0 O O36 1 0.66870100 0.34455000 0.98137700 1.0 O O37 1 0.63390600 0.88514000 0.71025200 1.0 O O38 1 0.36609400 0.11486000 0.28974800 1.0 O O39 1 0.52193900 0.67156200 0.33854000 1.0 O O40 1 0.47806100 0.32843800 0.66146000 1.0