# generated using pymatgen data_NaFe3P3O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38859300 _cell_length_b 7.62693100 _cell_length_c 10.40258837 _cell_angle_alpha 80.62336188 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaFe3P3O13 _chemical_formula_sum 'Na2 Fe6 P6 O26' _cell_volume 500.09738945 _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 0.75000000 0.33999900 0.18893000 1.0 Na Na1 1 0.25000000 0.66000100 0.81107000 1.0 Fe Fe2 1 0.25000000 0.64175000 0.19636800 1.0 Fe Fe3 1 0.75000000 0.35825000 0.80363200 1.0 Fe Fe4 1 0.25000000 0.21387100 0.43950100 1.0 Fe Fe5 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe6 1 0.75000000 0.78612900 0.56049900 1.0 Fe Fe7 1 0.00000000 0.00000000 0.00000000 1.0 P P8 1 0.25000000 0.78171100 0.48481900 1.0 P P9 1 0.75000000 0.21828900 0.51518100 1.0 P P10 1 0.25000000 0.25713500 0.76271100 1.0 P P11 1 0.75000000 0.74286500 0.23728900 1.0 P P12 1 0.75000000 0.68895500 0.88510800 1.0 P P13 1 0.25000000 0.31104500 0.11489200 1.0 O O14 1 0.75000000 0.64948900 0.74173700 1.0 O O15 1 0.55709000 0.25216300 0.42489400 1.0 O O16 1 0.25000000 0.20421000 0.62706100 1.0 O O17 1 0.54987600 0.79283800 0.90917600 1.0 O O18 1 0.75000000 0.35030200 0.61242400 1.0 O O19 1 0.75000000 0.12164000 0.90797200 1.0 O O20 1 0.25000000 0.64969800 0.38757600 1.0 O O21 1 0.04987600 0.20716200 0.09082400 1.0 O O22 1 0.25000000 0.97444600 0.40913200 1.0 O O23 1 0.75000000 0.02555400 0.59086800 1.0 O O24 1 0.05902700 0.37048800 0.78675300 1.0 O O25 1 0.25000000 0.87836000 0.09202800 1.0 O O26 1 0.55902700 0.62951200 0.21324700 1.0 O O27 1 0.75000000 0.49633300 0.95995100 1.0 O O28 1 0.75000000 0.79579000 0.37293900 1.0 O O29 1 0.45012400 0.20716200 0.09082400 1.0 O O30 1 0.94291000 0.25216300 0.42489400 1.0 O O31 1 0.44291000 0.74783700 0.57510600 1.0 O O32 1 0.44097300 0.37048800 0.78675300 1.0 O O33 1 0.25000000 0.35051100 0.25826300 1.0 O O34 1 0.75000000 0.91738400 0.13173100 1.0 O O35 1 0.25000000 0.08261600 0.86826900 1.0 O O36 1 0.94097300 0.62951200 0.21324700 1.0 O O37 1 0.95012400 0.79283800 0.90917600 1.0 O O38 1 0.05709000 0.74783700 0.57510600 1.0 O O39 1 0.25000000 0.50366700 0.04004900 1.0