# generated using pymatgen data_Na3Zr3Fe(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87871800 _cell_length_b 9.25113621 _cell_length_c 15.43878501 _cell_angle_alpha 106.00726030 _cell_angle_beta 90.07364796 _cell_angle_gamma 118.57896973 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Zr3Fe(PO4)6 _chemical_formula_sum 'Na6 Zr6 Fe2 P12 O48' _cell_volume 1057.01632542 _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 Na Na0 1 0.96526500 0.98272800 0.01162000 1.0 Na Na1 1 0.51257500 0.02896900 0.48984000 1.0 Na Na2 1 0.25036800 0.00035100 0.24987200 1.0 Na Na3 1 0.74689100 0.99210400 0.75071500 1.0 Na Na4 1 0.44889400 0.18516400 0.81957000 1.0 Na Na5 1 0.27962900 0.55789900 0.63430900 1.0 Zr Zr6 1 0.08029100 0.29863300 0.06921100 1.0 Zr Zr7 1 0.17807100 0.70904500 0.17591500 1.0 Zr Zr8 1 0.56877800 0.28672800 0.57574800 1.0 Zr Zr9 1 0.32236800 0.29103900 0.32417500 1.0 Zr Zr10 1 0.42509500 0.70558000 0.42683400 1.0 Zr Zr11 1 0.92290500 0.70393400 0.92561700 1.0 Fe Fe12 1 0.68109400 0.71087100 0.67637900 1.0 Fe Fe13 1 0.82293700 0.29447200 0.82890200 1.0 P P14 1 0.81156600 0.79211900 0.22909100 1.0 P P15 1 0.08242300 0.49961600 0.37505100 1.0 P P16 1 0.73123300 0.20953700 0.01794300 1.0 P P17 1 0.76846100 0.78695400 0.48363900 1.0 P P18 1 0.41599400 0.49886100 0.12508600 1.0 P P19 1 0.31175000 0.78292400 0.73058600 1.0 P P20 1 0.69092300 0.20936000 0.26933100 1.0 P P21 1 0.58818700 0.50077200 0.87053600 1.0 P P22 1 0.21937900 0.20089900 0.52378400 1.0 P P23 1 0.28037400 0.80120400 0.97617200 1.0 P P24 1 0.91228200 0.50386000 0.62816100 1.0 P P25 1 0.19162900 0.21925100 0.76966300 1.0 O O26 1 0.86940200 0.40425700 0.25390500 1.0 O O27 1 0.22067300 0.79131100 0.06059600 1.0 O O28 1 0.92359300 0.98404800 0.14088300 1.0 O O29 1 0.36844400 0.63113400 0.14069800 1.0 O O30 1 0.00042500 0.80114000 0.21756900 1.0 O O31 1 0.69506000 0.78988500 0.31140100 1.0 O O32 1 0.82198200 0.34677400 0.45904200 1.0 O O33 1 0.14386000 0.65366600 0.29100300 1.0 O O34 1 0.47549500 0.01815300 0.10665800 1.0 O O35 1 0.72303600 0.59316600 0.49715400 1.0 O O36 1 0.60717700 0.79056900 0.47168400 1.0 O O37 1 0.26968600 0.37039700 0.10806500 1.0 O O38 1 0.22910200 0.62955200 0.39191100 1.0 O O39 1 0.37938600 0.40547500 0.75476800 1.0 O O40 1 0.88640800 0.20045300 0.03096500 1.0 O O41 1 0.77879200 0.40502900 0.00294900 1.0 O O42 1 0.02298600 0.98046500 0.39459800 1.0 O O43 1 0.70143800 0.77779400 0.56787600 1.0 O O44 1 0.35500700 0.34551900 0.20912000 1.0 O O45 1 0.42226200 0.97812000 0.64294900 1.0 O O46 1 0.67716100 0.65192300 0.04101600 1.0 O O47 1 0.86498900 0.63713100 0.64037800 1.0 O O48 1 0.49887900 0.79029500 0.71842100 1.0 O O49 1 0.80756000 0.21170200 0.18735800 1.0 O O50 1 0.19775500 0.78727300 0.81160600 1.0 O O51 1 0.50122000 0.20008000 0.28163900 1.0 O O52 1 0.13314100 0.37017100 0.35868200 1.0 O O53 1 0.32713600 0.34911600 0.95652200 1.0 O O54 1 0.57741200 0.01717200 0.35831300 1.0 O O55 1 0.64760900 0.65302700 0.78746200 1.0 O O56 1 0.27934200 0.21130000 0.43894000 1.0 O O57 1 0.96416700 0.01110100 0.61033800 1.0 O O58 1 0.22760600 0.60270500 0.99330700 1.0 O O59 1 0.12709500 0.81452900 0.96181900 1.0 O O60 1 0.63195100 0.59625200 0.24557400 1.0 O O61 1 0.76595000 0.36965000 0.61161300 1.0 O O62 1 0.73409100 0.62953600 0.88849400 1.0 O O63 1 0.38071900 0.19697100 0.53420400 1.0 O O64 1 0.27339400 0.40129400 0.50617700 1.0 O O65 1 0.53509600 0.99623400 0.88781100 1.0 O O66 1 0.84862400 0.34900400 0.71350600 1.0 O O67 1 0.17638800 0.64961900 0.54591700 1.0 O O68 1 0.30248300 0.21577300 0.68797700 1.0 O O69 1 0.01167400 0.22111400 0.77727400 1.0 O O70 1 0.62990200 0.36209900 0.85881500 1.0 O O71 1 0.07891800 0.02140300 0.85704400 1.0 O O72 1 0.78201100 0.21032200 0.93648800 1.0 O O73 1 0.12723900 0.59003600 0.74617000 1.0