# generated using pymatgen data_Fe3(PO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73714504 _cell_length_b 7.75348700 _cell_length_c 10.43362949 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.18226493 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3(PO4)4 _chemical_formula_sum 'Fe6 P8 O32' _cell_volume 624.24516271 _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 Fe Fe0 1 0.90699100 0.63549800 0.70736200 1.0 Fe Fe1 1 0.49212000 0.53264300 0.99937600 1.0 Fe Fe2 1 0.49313200 0.48642000 0.50639700 1.0 Fe Fe3 1 0.00788000 0.03264300 0.75062400 1.0 Fe Fe4 1 0.00686800 0.98642000 0.24360300 1.0 Fe Fe5 1 0.59300900 0.13549800 0.04263800 1.0 P P6 1 0.31808300 0.69336000 0.23835200 1.0 P P7 1 0.79328900 0.80970400 0.48651900 1.0 P P8 1 0.30270500 0.70276500 0.72429300 1.0 P P9 1 0.19729500 0.20276500 0.02570700 1.0 P P10 1 0.68022500 0.29518000 0.76545700 1.0 P P11 1 0.70671100 0.30970400 0.26348100 1.0 P P12 1 0.81977500 0.79518000 0.98454300 1.0 P P13 1 0.18191700 0.19336000 0.51164800 1.0 O O14 1 0.76733900 0.12063600 0.74875700 1.0 O O15 1 0.25959900 0.39447300 0.01623600 1.0 O O16 1 0.81717000 0.43914500 0.77662800 1.0 O O17 1 0.08473300 0.21289600 0.63396800 1.0 O O18 1 0.27090300 0.35887400 0.47117300 1.0 O O19 1 0.75486500 0.12443500 0.21564300 1.0 O O20 1 0.08901400 0.18031200 0.14203800 1.0 O O21 1 0.86204400 0.43032900 0.29351400 1.0 O O22 1 0.57899800 0.36318400 0.14686500 1.0 O O23 1 0.41098600 0.68031200 0.60796200 1.0 O O24 1 0.63795600 0.93032900 0.45648600 1.0 O O25 1 0.32774200 0.05351000 0.54299800 1.0 O O26 1 0.44158200 0.62264500 0.34708900 1.0 O O27 1 0.91236800 0.79942600 0.85364900 1.0 O O28 1 0.87624900 0.81403400 0.35733300 1.0 O O29 1 0.05841800 0.12264500 0.40291100 1.0 O O30 1 0.58763200 0.29942600 0.89635100 1.0 O O31 1 0.92100200 0.86318400 0.60313500 1.0 O O32 1 0.22909700 0.85887400 0.27882700 1.0 O O33 1 0.73266100 0.62063600 0.00124300 1.0 O O34 1 0.41301700 0.65519000 0.84747900 1.0 O O35 1 0.95570100 0.83472600 0.09527100 1.0 O O36 1 0.17225800 0.55351000 0.20700200 1.0 O O37 1 0.08698300 0.15519000 0.90252100 1.0 O O38 1 0.68283000 0.93914500 0.97337200 1.0 O O39 1 0.35737500 0.08206700 0.04199200 1.0 O O40 1 0.74513500 0.62443500 0.53435700 1.0 O O41 1 0.41526700 0.71289600 0.11603200 1.0 O O42 1 0.14262500 0.58206700 0.70800800 1.0 O O43 1 0.54429900 0.33472600 0.65472900 1.0 O O44 1 0.24040100 0.89447300 0.73376400 1.0 O O45 1 0.62375100 0.31403400 0.39266700 1.0