# generated using pymatgen data_FeP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45101457 _cell_length_b 10.64708795 _cell_length_c 9.67455705 _cell_angle_alpha 64.68791046 _cell_angle_beta 107.12268362 _cell_angle_gamma 94.17524012 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeP2O7 _chemical_formula_sum 'Fe4 P8 O28' _cell_volume 572.98682830 _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 Fe Fe0 1 0.37461800 0.25201800 0.49700900 1.0 Fe Fe1 1 0.62249100 0.75412800 0.49343100 1.0 Fe Fe2 1 0.72727900 0.77913500 0.09245700 1.0 Fe Fe3 1 0.27438900 0.22395700 0.89782300 1.0 P P4 1 0.41543700 0.46282300 0.68193000 1.0 P P5 1 0.07301600 0.20592100 0.18367400 1.0 P P6 1 0.88994000 0.30188400 0.54917100 1.0 P P7 1 0.58243200 0.54241700 0.31100600 1.0 P P8 1 0.31134100 0.96498200 0.80080200 1.0 P P9 1 0.92844800 0.79780000 0.80662400 1.0 P P10 1 0.10763800 0.70306300 0.44188100 1.0 P P11 1 0.69035800 0.03893100 0.18929600 1.0 O O12 1 0.43901200 0.32251200 0.67314200 1.0 O O13 1 0.55070100 0.17230300 0.07186500 1.0 O O14 1 0.79759200 0.46239500 0.45327500 1.0 O O15 1 0.30472100 0.79019100 0.45661500 1.0 O O16 1 0.45387800 0.83227500 0.91596600 1.0 O O17 1 0.00241300 0.71844100 0.27155400 1.0 O O18 1 0.39075300 0.05626100 0.65804900 1.0 O O19 1 0.60199100 0.55739800 0.65717100 1.0 O O20 1 0.10757400 0.17586700 0.05111800 1.0 O O21 1 0.55838500 0.68266700 0.31919900 1.0 O O22 1 0.27097300 0.04417800 0.89127400 1.0 O O23 1 0.60774400 0.94981200 0.33094900 1.0 O O24 1 0.73181700 0.95815200 0.10090200 1.0 O O25 1 0.69233600 0.21528600 0.53317500 1.0 O O26 1 0.99650300 0.28344900 0.72076800 1.0 O O27 1 0.92132900 0.08863200 0.26615400 1.0 O O28 1 0.39478100 0.44842300 0.33552000 1.0 O O29 1 0.08067300 0.91467800 0.72478100 1.0 O O30 1 0.19948900 0.54254600 0.54050000 1.0 O O31 1 0.72214100 0.81101300 0.67380200 1.0 O O32 1 0.89820000 0.82527600 0.94199500 1.0 O O33 1 0.36137300 0.41942000 0.84020800 1.0 O O34 1 0.94462200 0.72792600 0.51587300 1.0 O O35 1 0.05259700 0.27864300 0.47373100 1.0 O O36 1 0.63610300 0.58454700 0.15286000 1.0 O O37 1 0.04237400 0.65157900 0.88391200 1.0 O O38 1 0.27740500 0.19543900 0.31622100 1.0 O O39 1 0.95643000 0.35157700 0.10409500 1.0