# generated using pymatgen data_Li2Fe2(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66444900 _cell_length_b 8.79680800 _cell_length_c 12.22283900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Fe2(PO4)3 _chemical_formula_sum 'Li8 Fe8 P12 O48' _cell_volume 931.61860723 _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 Li Li0 1 0.71703200 0.22212800 0.18115300 1.0 Li Li1 1 0.71703200 0.27787200 0.81884700 1.0 Li Li2 1 0.78296800 0.72212800 0.31884700 1.0 Li Li3 1 0.78296800 0.77787200 0.68115300 1.0 Li Li4 1 0.21703200 0.22212800 0.31884700 1.0 Li Li5 1 0.21703200 0.27787200 0.68115300 1.0 Li Li6 1 0.28296800 0.72212800 0.18115300 1.0 Li Li7 1 0.28296800 0.77787200 0.81884700 1.0 Fe Fe8 1 0.74924300 0.45964300 0.61286200 1.0 Fe Fe9 1 0.74924300 0.04035700 0.38713800 1.0 Fe Fe10 1 0.75075700 0.54035700 0.11286200 1.0 Fe Fe11 1 0.75075700 0.95964300 0.88713800 1.0 Fe Fe12 1 0.24924300 0.04035700 0.11286200 1.0 Fe Fe13 1 0.24924300 0.45964300 0.88713800 1.0 Fe Fe14 1 0.25075700 0.54035700 0.38713800 1.0 Fe Fe15 1 0.25075700 0.95964300 0.61286200 1.0 P P16 1 0.53960400 0.75000000 0.50000000 1.0 P P17 1 0.96039600 0.25000000 0.00000000 1.0 P P18 1 0.03960400 0.75000000 0.00000000 1.0 P P19 1 0.46039600 0.25000000 0.50000000 1.0 P P20 1 0.60568400 0.89325200 0.14711300 1.0 P P21 1 0.60568400 0.60674800 0.85288700 1.0 P P22 1 0.89431600 0.10674800 0.64711300 1.0 P P23 1 0.89431600 0.39325200 0.35288700 1.0 P P24 1 0.10568400 0.60674800 0.64711300 1.0 P P25 1 0.10568400 0.89325200 0.35288700 1.0 P P26 1 0.39431600 0.10674800 0.85288700 1.0 P P27 1 0.39431600 0.39325200 0.14711300 1.0 O O28 1 0.55667800 0.14283600 0.42877700 1.0 O O29 1 0.55667800 0.35716400 0.57122300 1.0 O O30 1 0.57279700 0.39552000 0.15597000 1.0 O O31 1 0.57279700 0.10448000 0.84403000 1.0 O O32 1 0.64701100 0.66247100 0.57962000 1.0 O O33 1 0.64701100 0.83752900 0.42038000 1.0 O O34 1 0.65622300 0.93396000 0.03066700 1.0 O O35 1 0.65622300 0.56604000 0.96933300 1.0 O O36 1 0.66217300 0.73248300 0.17978800 1.0 O O37 1 0.66217300 0.76751700 0.82021200 1.0 O O38 1 0.67458400 0.01394900 0.22568500 1.0 O O39 1 0.67458400 0.48605100 0.77431500 1.0 O O40 1 0.82541600 0.51394900 0.27431500 1.0 O O41 1 0.82541600 0.98605100 0.72568500 1.0 O O42 1 0.83782700 0.26751700 0.67978800 1.0 O O43 1 0.83782700 0.23248300 0.32021200 1.0 O O44 1 0.84377700 0.06604000 0.53066700 1.0 O O45 1 0.84377700 0.43396000 0.46933300 1.0 O O46 1 0.85298900 0.33752900 0.07962000 1.0 O O47 1 0.85298900 0.16247100 0.92038000 1.0 O O48 1 0.92720300 0.60448000 0.65597000 1.0 O O49 1 0.92720300 0.89552000 0.34403000 1.0 O O50 1 0.94332200 0.64283600 0.07122300 1.0 O O51 1 0.94332200 0.85716400 0.92877700 1.0 O O52 1 0.05667800 0.14283600 0.07122300 1.0 O O53 1 0.05667800 0.35716400 0.92877700 1.0 O O54 1 0.07279700 0.10448000 0.65597000 1.0 O O55 1 0.07279700 0.39552000 0.34403000 1.0 O O56 1 0.14701100 0.83752900 0.07962000 1.0 O O57 1 0.14701100 0.66247100 0.92038000 1.0 O O58 1 0.15622300 0.56604000 0.53066700 1.0 O O59 1 0.15622300 0.93396000 0.46933300 1.0 O O60 1 0.16217300 0.73248300 0.32021200 1.0 O O61 1 0.16217300 0.76751700 0.67978800 1.0 O O62 1 0.17458400 0.01394900 0.27431500 1.0 O O63 1 0.17458400 0.48605100 0.72568500 1.0 O O64 1 0.32541600 0.51394900 0.22568500 1.0 O O65 1 0.32541600 0.98605100 0.77431500 1.0 O O66 1 0.33782700 0.23248300 0.17978800 1.0 O O67 1 0.33782700 0.26751700 0.82021200 1.0 O O68 1 0.34377700 0.06604000 0.96933300 1.0 O O69 1 0.34377700 0.43396000 0.03066700 1.0 O O70 1 0.35298900 0.16247100 0.57962000 1.0 O O71 1 0.35298900 0.33752900 0.42038000 1.0 O O72 1 0.42720300 0.60448000 0.84403000 1.0 O O73 1 0.42720300 0.89552000 0.15597000 1.0 O O74 1 0.44332200 0.64283600 0.42877700 1.0 O O75 1 0.44332200 0.85716400 0.57122300 1.0