# generated using pymatgen data_Sr5Nb5O17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02904395 _cell_length_b 5.71415098 _cell_length_c 32.84690230 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr5Nb5O17 _chemical_formula_sum 'Sr10 Nb10 O34' _cell_volume 756.21995755 _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 0.43248438 0.78359171 1.0 Sr Sr1 1 -0.00000000 0.56751562 0.21640829 1.0 Sr Sr2 1 0.50000000 0.06751562 0.28359171 1.0 Sr Sr3 1 0.50000000 0.93248438 0.71640829 1.0 Sr Sr4 1 0.50000000 -0.00000000 0.50000000 1.0 Sr Sr5 1 0.00000000 0.50000000 -0.00000000 1.0 Sr Sr6 1 0.50000000 0.50400990 0.58979368 1.0 Sr Sr7 1 0.50000000 0.49599010 0.41020632 1.0 Sr Sr8 1 -0.00000000 0.99599010 0.08979368 1.0 Sr Sr9 1 0.00000000 0.00400990 0.91020632 1.0 Nb Nb10 1 0.00000000 0.50000000 0.50000000 1.0 Nb Nb11 1 0.50000000 -0.00000000 -0.00000000 1.0 Nb Nb12 1 -0.00000000 0.46526866 0.67699315 1.0 Nb Nb13 1 -0.00000000 0.53473134 0.32300685 1.0 Nb Nb14 1 0.50000000 0.03473134 0.17699315 1.0 Nb Nb15 1 0.50000000 0.96526866 0.82300685 1.0 Nb Nb16 1 0.00000000 0.99503199 0.59021680 1.0 Nb Nb17 1 0.00000000 0.00496801 0.40978320 1.0 Nb Nb18 1 0.50000000 0.50496801 0.09021680 1.0 Nb Nb19 1 0.50000000 0.49503199 0.90978320 1.0 O O20 1 0.00000000 0.78245901 0.46393386 1.0 O O21 1 -0.00000000 0.21754099 0.53606614 1.0 O O22 1 0.50000000 0.71754099 0.96393386 1.0 O O23 1 0.50000000 0.28245901 0.03606614 1.0 O O24 1 -0.00000000 0.72150881 0.54857245 1.0 O O25 1 0.00000000 0.27849119 0.45142755 1.0 O O26 1 0.50000000 0.77849119 0.04857245 1.0 O O27 1 0.50000000 0.22150881 0.95142755 1.0 O O28 1 0.50000000 0.50000000 0.50000000 1.0 O O29 1 0.00000000 -0.00000000 -0.00000000 1.0 O O30 1 0.50000000 0.70069928 0.79074448 1.0 O O31 1 0.50000000 0.29930072 0.20925552 1.0 O O32 1 0.00000000 0.79930072 0.29074448 1.0 O O33 1 0.00000000 0.20069928 0.70925552 1.0 O O34 1 0.50000000 0.79592688 0.87993466 1.0 O O35 1 0.50000000 0.20407312 0.12006534 1.0 O O36 1 -0.00000000 0.70407312 0.37993466 1.0 O O37 1 -0.00000000 0.29592688 0.62006534 1.0 O O38 1 0.50000000 0.27592851 0.86745565 1.0 O O39 1 0.50000000 0.72407149 0.13254435 1.0 O O40 1 -0.00000000 0.22407149 0.36745565 1.0 O O41 1 0.00000000 0.77592851 0.63254435 1.0 O O42 1 0.00000000 0.68284822 0.72044868 1.0 O O43 1 0.00000000 0.31715178 0.27955132 1.0 O O44 1 0.50000000 0.81715178 0.22044868 1.0 O O45 1 0.50000000 0.18284822 0.77955132 1.0 O O46 1 0.50000000 0.49829883 0.66887319 1.0 O O47 1 0.50000000 0.50170117 0.33112681 1.0 O O48 1 -0.00000000 0.00170117 0.16887319 1.0 O O49 1 0.00000000 0.99829883 0.83112681 1.0 O O50 1 0.50000000 0.01058058 0.58292997 1.0 O O51 1 0.50000000 0.98941942 0.41707003 1.0 O O52 1 -0.00000000 0.48941942 0.08292997 1.0 O O53 1 -0.00000000 0.51058058 0.91707003 1.0