# generated using pymatgen data_Sr5Nb5O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02943138 _cell_length_b 5.71357164 _cell_length_c 32.94806817 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr5Nb5O16 _chemical_formula_sum 'Sr10 Nb10 O32' _cell_volume 758.54508262 _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 Sr Sr0 1 0.00000000 0.04733639 0.52961573 1.0 Sr Sr1 1 0.00000000 0.06774212 0.75080790 1.0 Sr Sr2 1 0.00000000 0.57497748 0.66325245 1.0 Sr Sr3 1 0.00000000 0.56034847 0.84073863 1.0 Sr Sr4 1 0.00000000 0.13003770 0.96670895 1.0 Sr Sr5 1 0.50000000 0.63003770 0.03329105 1.0 Sr Sr6 1 0.50000000 0.06034847 0.15926137 1.0 Sr Sr7 1 0.50000000 0.56774212 0.24919210 1.0 Sr Sr8 1 0.50000000 0.07497748 0.33674755 1.0 Sr Sr9 1 0.50000000 0.54733639 0.47038427 1.0 Nb Nb10 1 0.00000000 0.09922650 0.07282873 1.0 Nb Nb11 1 -0.00000000 0.57070302 0.15964707 1.0 Nb Nb12 1 -0.00000000 0.06900256 0.24901092 1.0 Nb Nb13 1 -0.00000000 0.05871091 0.42463985 1.0 Nb Nb14 1 -0.00000000 0.56730108 0.33884565 1.0 Nb Nb15 1 0.50000000 0.55871091 0.57536015 1.0 Nb Nb16 1 0.50000000 0.06730108 0.66115435 1.0 Nb Nb17 1 0.50000000 0.56900256 0.75098908 1.0 Nb Nb18 1 0.50000000 0.07070302 0.84035293 1.0 Nb Nb19 1 0.50000000 0.59922650 0.92717127 1.0 O O20 1 0.00000000 0.36324375 0.04037204 1.0 O O21 1 -0.00000000 0.27267071 0.12940879 1.0 O O22 1 -0.00000000 0.88059546 0.02974014 1.0 O O23 1 0.00000000 0.79566438 0.11786178 1.0 O O24 1 0.00000000 0.35304302 0.21294408 1.0 O O25 1 0.00000000 0.29518529 0.29681708 1.0 O O26 1 0.00000000 0.84390409 0.20173268 1.0 O O27 1 0.00000000 0.32198933 0.37983267 1.0 O O28 1 -0.00000000 0.78942313 0.28740494 1.0 O O29 1 -0.00000000 0.28741400 0.46567154 1.0 O O30 1 0.00000000 0.85830006 0.37170120 1.0 O O31 1 0.00000000 0.80641193 0.46092040 1.0 O O32 1 0.00000000 0.06986109 0.66543527 1.0 O O33 1 0.00000000 0.05955822 0.83385666 1.0 O O34 1 0.00000000 0.56839815 0.75056927 1.0 O O35 1 -0.00000000 0.56958018 0.91928401 1.0 O O36 1 0.50000000 0.06958018 0.08071599 1.0 O O37 1 0.50000000 0.55955822 0.16614334 1.0 O O38 1 0.50000000 0.06839815 0.24943073 1.0 O O39 1 0.50000000 0.56986109 0.33456473 1.0 O O40 1 0.50000000 0.30641193 0.53907960 1.0 O O41 1 0.50000000 0.78741400 0.53432846 1.0 O O42 1 0.50000000 0.28942313 0.71259506 1.0 O O43 1 0.50000000 0.82198933 0.62016733 1.0 O O44 1 0.50000000 0.35830006 0.62829880 1.0 O O45 1 0.50000000 0.79518529 0.70318292 1.0 O O46 1 0.50000000 0.85304302 0.78705592 1.0 O O47 1 0.50000000 0.34390409 0.79826732 1.0 O O48 1 0.50000000 0.29566438 0.88213822 1.0 O O49 1 0.50000000 0.77267071 0.87059121 1.0 O O50 1 0.50000000 0.38059546 0.97025986 1.0 O O51 1 0.50000000 0.86324375 0.95962796 1.0