# generated using pymatgen data_Co3(P2O7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38685500 _cell_length_b 8.41795912 _cell_length_c 10.02048146 _cell_angle_alpha 107.90580496 _cell_angle_beta 91.52842987 _cell_angle_gamma 92.17151497 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co3(P2O7)2 _chemical_formula_sum 'Co6 P8 O28' _cell_volume 511.86465276 _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 0.00000000 0.50000000 0.50000000 1.0 Co Co1 1 0.28532200 0.89717800 0.62083400 1.0 Co Co2 1 0.34788500 0.87889900 0.06283100 1.0 Co Co3 1 0.50000000 0.50000000 0.00000000 1.0 Co Co4 1 0.65211500 0.12110100 0.93716900 1.0 Co Co5 1 0.71467800 0.10282200 0.37916600 1.0 P P6 1 0.16157200 0.20295200 0.01034100 1.0 P P7 1 0.18158300 0.18439300 0.30877700 1.0 P P8 1 0.27266900 0.55176300 0.72331500 1.0 P P9 1 0.47768900 0.74892000 0.31777900 1.0 P P10 1 0.52231100 0.25108000 0.68222100 1.0 P P11 1 0.72733100 0.44823700 0.27668500 1.0 P P12 1 0.81841700 0.81560700 0.69122300 1.0 P P13 1 0.83842800 0.79704800 0.98965900 1.0 O O14 1 0.03829500 0.84975500 0.07684800 1.0 O O15 1 0.00680000 0.08420300 0.35368600 1.0 O O16 1 0.05831200 0.45603800 0.67578200 1.0 O O17 1 0.09536700 0.21705500 0.16737200 1.0 O O18 1 0.25257500 0.37639000 0.01367600 1.0 O O19 1 0.21670000 0.35808800 0.41715700 1.0 O O20 1 0.28116100 0.67685600 0.63957600 1.0 O O21 1 0.30478700 0.80953200 0.41923900 1.0 O O22 1 0.32803100 0.62580300 0.88033200 1.0 O O23 1 0.33253300 0.12437700 0.65076200 1.0 O O24 1 0.33464200 0.07376400 0.97019400 1.0 O O25 1 0.40673600 0.70405400 0.16189100 1.0 O O26 1 0.38216000 0.08889600 0.27492800 1.0 O O27 1 0.45190100 0.42197200 0.66229900 1.0 O O28 1 0.54809900 0.57802800 0.33770100 1.0 O O29 1 0.61784000 0.91110400 0.72507200 1.0 O O30 1 0.59326400 0.29594600 0.83810900 1.0 O O31 1 0.66535800 0.92623600 0.02980600 1.0 O O32 1 0.66746700 0.87562300 0.34923800 1.0 O O33 1 0.67196900 0.37419700 0.11966800 1.0 O O34 1 0.69521300 0.19046800 0.58076100 1.0 O O35 1 0.71883900 0.32314400 0.36042400 1.0 O O36 1 0.78330000 0.64191200 0.58284300 1.0 O O37 1 0.74742500 0.62361000 0.98632400 1.0 O O38 1 0.90463300 0.78294500 0.83262800 1.0 O O39 1 0.94168800 0.54396200 0.32421800 1.0 O O40 1 0.99320000 0.91579700 0.64631400 1.0 O O41 1 0.96170500 0.15024500 0.92315200 1.0