# generated using pymatgen data_NaZr(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44769300 _cell_length_b 9.03804100 _cell_length_c 16.42624504 _cell_angle_alpha 64.00368236 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZr(PO4)2 _chemical_formula_sum 'Na4 Zr4 P8 O32' _cell_volume 726.94077358 _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 Na Na0 1 0.16397300 0.50000000 0.75000000 1.0 Na Na1 1 0.83602700 0.50000000 0.25000000 1.0 Na Na2 1 0.96598500 0.00000000 0.75000000 1.0 Na Na3 1 0.03401500 0.00000000 0.25000000 1.0 Zr Zr4 1 0.76633800 0.25466000 0.48729100 1.0 Zr Zr5 1 0.76633800 0.74534000 0.01270900 1.0 Zr Zr6 1 0.23366200 0.74534000 0.51270900 1.0 Zr Zr7 1 0.23366200 0.25466000 0.98729100 1.0 P P8 1 0.72592000 0.82301600 0.62112400 1.0 P P9 1 0.72592000 0.17698400 0.87887600 1.0 P P10 1 0.27408000 0.17698400 0.37887600 1.0 P P11 1 0.27408000 0.82301600 0.12112400 1.0 P P12 1 0.25951900 0.30284200 0.61349200 1.0 P P13 1 0.25951900 0.69715800 0.88650800 1.0 P P14 1 0.74048100 0.69715800 0.38650800 1.0 P P15 1 0.74048100 0.30284200 0.11349200 1.0 O O16 1 0.72600400 0.00313500 0.54678000 1.0 O O17 1 0.72600400 0.99686500 0.95322000 1.0 O O18 1 0.27399600 0.99686500 0.45322000 1.0 O O19 1 0.27399600 0.00313500 0.04678000 1.0 O O20 1 0.49566200 0.73236800 0.61099400 1.0 O O21 1 0.49566200 0.26763200 0.88900600 1.0 O O22 1 0.50433800 0.26763200 0.38900600 1.0 O O23 1 0.50433800 0.73236800 0.11099400 1.0 O O24 1 0.96077600 0.73651400 0.60934100 1.0 O O25 1 0.96077600 0.26348600 0.89065900 1.0 O O26 1 0.03922400 0.26348600 0.39065900 1.0 O O27 1 0.03922400 0.73651400 0.10934100 1.0 O O28 1 0.49678600 0.28009000 0.56921000 1.0 O O29 1 0.49678600 0.71991000 0.93079000 1.0 O O30 1 0.50321400 0.71991000 0.43079000 1.0 O O31 1 0.50321400 0.28009000 0.06921000 1.0 O O32 1 0.79150500 0.51165000 0.41719600 1.0 O O33 1 0.79150500 0.48835000 0.08280400 1.0 O O34 1 0.20849500 0.48835000 0.58280400 1.0 O O35 1 0.20849500 0.51165000 0.91719600 1.0 O O36 1 0.04206200 0.22744600 0.58269200 1.0 O O37 1 0.04206200 0.77255400 0.91730800 1.0 O O38 1 0.95793800 0.77255400 0.41730800 1.0 O O39 1 0.95793800 0.22744600 0.08269200 1.0 O O40 1 0.73811900 0.81313400 0.71699900 1.0 O O41 1 0.73811900 0.18686600 0.78300100 1.0 O O42 1 0.26188100 0.18686600 0.28300100 1.0 O O43 1 0.26188100 0.81313400 0.21699900 1.0 O O44 1 0.27474400 0.78517300 0.78234100 1.0 O O45 1 0.27474400 0.21482700 0.71765900 1.0 O O46 1 0.72525600 0.21482700 0.21765900 1.0 O O47 1 0.72525600 0.78517300 0.28234100 1.0