# generated using pymatgen data_Co3(P2O7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29399900 _cell_length_b 6.36449335 _cell_length_c 16.24425394 _cell_angle_alpha 81.26169720 _cell_angle_beta 80.73698129 _cell_angle_gamma 73.23920919 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co3(P2O7)2 _chemical_formula_sum 'Co6 P8 O28' _cell_volume 514.00823134 _cell_formula_units_Z 2 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 Co Co0 1 0.79197100 0.72551100 0.40565300 1.0 Co Co1 1 0.20802900 0.27448900 0.59434700 1.0 Co Co2 1 0.04435800 0.62173500 0.81858300 1.0 Co Co3 1 0.23018400 0.96313300 0.33003400 1.0 Co Co4 1 0.95564200 0.37826500 0.18141700 1.0 Co Co5 1 0.76981600 0.03686700 0.66996600 1.0 P P6 1 0.82297200 0.89207200 0.21045300 1.0 P P7 1 0.29893900 0.77895800 0.54395500 1.0 P P8 1 0.36921500 0.42612600 0.31891300 1.0 P P9 1 0.43621800 0.76705800 0.92199400 1.0 P P10 1 0.56378200 0.23294200 0.07800600 1.0 P P11 1 0.17702800 0.10792800 0.78954700 1.0 P P12 1 0.70106100 0.22104200 0.45604500 1.0 P P13 1 0.63078500 0.57387400 0.68108700 1.0 O O14 1 0.18074200 0.65301000 0.33906900 1.0 O O15 1 0.88514000 0.01416800 0.41700500 1.0 O O16 1 0.35618000 0.13826000 0.70546600 1.0 O O17 1 0.73457700 0.66458000 0.90680700 1.0 O O18 1 0.41048600 0.84002100 0.45276400 1.0 O O19 1 0.27194700 0.62200400 0.90001800 1.0 O O20 1 0.16796600 0.59227700 0.55447700 1.0 O O21 1 0.21863500 0.28716900 0.28668500 1.0 O O22 1 0.98028200 0.67143300 0.17922900 1.0 O O23 1 0.72805300 0.37799600 0.09998200 1.0 O O24 1 0.26542300 0.33542000 0.09319300 1.0 O O25 1 0.43427600 0.29639500 0.41066000 1.0 O O26 1 0.38062800 0.98739300 0.85408200 1.0 O O27 1 0.81925800 0.34699000 0.66093100 1.0 O O28 1 0.61937200 0.01260700 0.14591800 1.0 O O29 1 0.58951400 0.15997900 0.54723600 1.0 O O30 1 0.01971800 0.32856700 0.82077100 1.0 O O31 1 0.65923700 0.16690500 0.99080800 1.0 O O32 1 0.11486000 0.98583200 0.58299500 1.0 O O33 1 0.83203400 0.40772300 0.44552300 1.0 O O34 1 0.00385700 0.03923500 0.21760800 1.0 O O35 1 0.62864900 0.43787900 0.26782500 1.0 O O36 1 0.34076300 0.83309500 0.00919200 1.0 O O37 1 0.37135100 0.56212100 0.73217500 1.0 O O38 1 0.56572400 0.70360500 0.58934000 1.0 O O39 1 0.64382000 0.86174000 0.29453400 1.0 O O40 1 0.99614300 0.96076500 0.78239200 1.0 O O41 1 0.78136500 0.71283100 0.71331500 1.0