# generated using pymatgen data_Fe2(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76714100 _cell_length_b 8.71382800 _cell_length_c 14.88127554 _cell_angle_alpha 54.63458097 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2(PO4)3 _chemical_formula_sum 'Fe8 P12 O48' _cell_volume 927.08380535 _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 0.03455300 0.36741400 0.88285100 1.0 Fe Fe1 1 0.03433500 0.13145500 0.61906900 1.0 Fe Fe2 1 0.46544700 0.36741400 0.38285100 1.0 Fe Fe3 1 0.53455300 0.63258600 0.61714900 1.0 Fe Fe4 1 0.96566500 0.86854500 0.38093100 1.0 Fe Fe5 1 0.53433500 0.86854500 0.88093100 1.0 Fe Fe6 1 0.46566500 0.13145500 0.11906900 1.0 Fe Fe7 1 0.96544700 0.63258600 0.11714900 1.0 P P8 1 0.38843400 0.24781800 0.64648200 1.0 P P9 1 0.24957900 0.96203000 0.00401000 1.0 P P10 1 0.61156600 0.75218200 0.35351800 1.0 P P11 1 0.75042100 0.03797000 0.99599000 1.0 P P12 1 0.10946300 0.53880600 0.35534400 1.0 P P13 1 0.11156600 0.24781800 0.14648200 1.0 P P14 1 0.88843400 0.75218200 0.85351800 1.0 P P15 1 0.74957900 0.03797000 0.49599000 1.0 P P16 1 0.89053700 0.46119400 0.64465600 1.0 P P17 1 0.39053700 0.53880600 0.85534400 1.0 P P18 1 0.60946300 0.46119400 0.14465600 1.0 P P19 1 0.25042100 0.96203000 0.50401000 1.0 O O20 1 0.50131800 0.58323500 0.76329000 1.0 O O21 1 0.14190100 0.12901200 0.93148500 1.0 O O22 1 0.16316700 0.77417400 0.06315600 1.0 O O23 1 0.27153200 0.51514500 0.32504700 1.0 O O24 1 0.85809900 0.87098800 0.06851500 1.0 O O25 1 0.57268600 0.67914400 0.47242600 1.0 O O26 1 0.66316700 0.22582600 0.43684400 1.0 O O27 1 0.77153200 0.48485500 0.17495300 1.0 O O28 1 0.08460800 0.40049100 0.16611900 1.0 O O29 1 0.67481400 0.02414600 0.90706700 1.0 O O30 1 0.42731400 0.32085600 0.52757400 1.0 O O31 1 0.33683300 0.77417400 0.56315600 1.0 O O32 1 0.37033400 0.96566700 0.92810200 1.0 O O33 1 0.10809100 0.69929200 0.37085700 1.0 O O34 1 0.71760000 0.80453800 0.82968100 1.0 O O35 1 0.64190100 0.87098800 0.56851500 1.0 O O36 1 0.39190900 0.69929200 0.87085700 1.0 O O37 1 0.28240000 0.19546200 0.17031900 1.0 O O38 1 0.87033400 0.03433300 0.57189800 1.0 O O39 1 0.32518600 0.97585400 0.09293300 1.0 O O40 1 0.07268600 0.32085600 0.02757400 1.0 O O41 1 0.17481400 0.97585400 0.59293300 1.0 O O42 1 0.05753900 0.35602100 0.46357900 1.0 O O43 1 0.94246100 0.64397900 0.53642100 1.0 O O44 1 0.89190900 0.30070800 0.62914300 1.0 O O45 1 0.92731400 0.67914400 0.97242600 1.0 O O46 1 0.49868200 0.41676500 0.23671000 1.0 O O47 1 0.58460800 0.59950900 0.33388100 1.0 O O48 1 0.35809900 0.12901200 0.43148500 1.0 O O49 1 0.49068200 0.07676700 0.72492500 1.0 O O50 1 0.44246100 0.35602100 0.96357900 1.0 O O51 1 0.82518600 0.02414600 0.40706700 1.0 O O52 1 0.50931800 0.92323300 0.27507500 1.0 O O53 1 0.99868200 0.58323500 0.26329000 1.0 O O54 1 0.22846800 0.51514500 0.82504700 1.0 O O55 1 0.41539200 0.40049100 0.66611900 1.0 O O56 1 0.62966600 0.03433300 0.07189800 1.0 O O57 1 0.21760000 0.19546200 0.67031900 1.0 O O58 1 0.00131800 0.41676500 0.73671000 1.0 O O59 1 0.91539200 0.59950900 0.83388100 1.0 O O60 1 0.99068200 0.92323300 0.77507500 1.0 O O61 1 0.78240000 0.80453800 0.32968100 1.0 O O62 1 0.60809100 0.30070800 0.12914300 1.0 O O63 1 0.12966600 0.96566700 0.42810200 1.0 O O64 1 0.00931800 0.07676700 0.22492500 1.0 O O65 1 0.72846800 0.48485500 0.67495300 1.0 O O66 1 0.55753900 0.64397900 0.03642100 1.0 O O67 1 0.83683300 0.22582600 0.93684400 1.0