# generated using pymatgen data_LiFeP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.89179400 _cell_length_b 6.35321405 _cell_length_c 6.15030370 _cell_angle_alpha 108.87737390 _cell_angle_beta 103.51648037 _cell_angle_gamma 99.21696208 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFeP2O7 _chemical_formula_sum 'Li2 Fe2 P4 O14' _cell_volume 274.22203853 _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 Li Li0 1 0.00000000 0.00000000 0.00000000 1.0 Li Li1 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe2 1 0.36820000 0.22863500 0.68216500 1.0 Fe Fe3 1 0.63180000 0.77136500 0.31783500 1.0 P P4 1 0.82183300 0.20989800 0.54944800 1.0 P P5 1 0.45137200 0.31832200 0.23309000 1.0 P P6 1 0.54862800 0.68167800 0.76691000 1.0 P P7 1 0.17816700 0.79010200 0.45055200 1.0 O O8 1 0.79053200 0.03622800 0.38554200 1.0 O O9 1 0.68866100 0.18854100 0.71580800 1.0 O O10 1 0.41613700 0.20727800 0.99919000 1.0 O O11 1 0.27688800 0.20889500 0.32718500 1.0 O O12 1 0.72539800 0.34386900 0.39922600 1.0 O O13 1 0.08723300 0.31701400 0.69484500 1.0 O O14 1 0.57632500 0.49409800 0.76988100 1.0 O O15 1 0.42367500 0.50590200 0.23011900 1.0 O O16 1 0.91276700 0.68298600 0.30515500 1.0 O O17 1 0.27460200 0.65613100 0.60077400 1.0 O O18 1 0.72311200 0.79110500 0.67281500 1.0 O O19 1 0.58386300 0.79272200 0.00081000 1.0 O O20 1 0.31133900 0.81145900 0.28419200 1.0 O O21 1 0.20946800 0.96377200 0.61445800 1.0