# generated using pymatgen data_Sr14Nb19O57 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04116200 _cell_length_b 4.04116200 _cell_length_c 77.53393700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr14Nb19O57 _chemical_formula_sum 'Sr14 Nb19 O57' _cell_volume 1266.20597386 _cell_formula_units_Z 1 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 0.00000000 0.94746700 1.0 Sr Sr1 1 0.00000000 0.00000000 0.42102100 1.0 Sr Sr2 1 0.00000000 0.00000000 0.47370200 1.0 Sr Sr3 1 0.00000000 0.00000000 0.57897900 1.0 Sr Sr4 1 0.00000000 0.00000000 0.68473400 1.0 Sr Sr5 1 0.00000000 0.00000000 0.84251900 1.0 Sr Sr6 1 0.00000000 0.00000000 0.05253300 1.0 Sr Sr7 1 0.00000000 0.00000000 0.15748100 1.0 Sr Sr8 1 0.00000000 0.00000000 0.26011900 1.0 Sr Sr9 1 0.00000000 0.00000000 0.31526600 1.0 Sr Sr10 1 0.00000000 0.00000000 0.36832800 1.0 Sr Sr11 1 0.00000000 0.00000000 0.52629800 1.0 Sr Sr12 1 0.00000000 0.00000000 0.63167200 1.0 Sr Sr13 1 0.00000000 0.00000000 0.73988100 1.0 Nb Nb14 1 0.50000000 0.50000000 0.87036900 1.0 Nb Nb15 1 0.50000000 0.50000000 0.81626000 1.0 Nb Nb16 1 0.50000000 0.50000000 0.97486000 1.0 Nb Nb17 1 0.50000000 0.50000000 0.92073100 1.0 Nb Nb18 1 0.50000000 0.50000000 0.07926900 1.0 Nb Nb19 1 0.50000000 0.50000000 0.02514000 1.0 Nb Nb20 1 0.50000000 0.50000000 0.12963100 1.0 Nb Nb21 1 0.50000000 0.50000000 0.18374000 1.0 Nb Nb22 1 0.50000000 0.50000000 0.23417000 1.0 Nb Nb23 1 0.50000000 0.50000000 0.28867600 1.0 Nb Nb24 1 0.50000000 0.50000000 0.34199900 1.0 Nb Nb25 1 0.50000000 0.50000000 0.44738200 1.0 Nb Nb26 1 0.50000000 0.50000000 0.39466800 1.0 Nb Nb27 1 0.50000000 0.50000000 0.55261800 1.0 Nb Nb28 1 0.50000000 0.50000000 0.50000000 1.0 Nb Nb29 1 0.50000000 0.50000000 0.60533200 1.0 Nb Nb30 1 0.50000000 0.50000000 0.65800100 1.0 Nb Nb31 1 0.50000000 0.50000000 0.71132400 1.0 Nb Nb32 1 0.50000000 0.50000000 0.76583000 1.0 O O33 1 0.00000000 0.50000000 0.76075600 1.0 O O34 1 0.50000000 0.50000000 0.78949400 1.0 O O35 1 0.50000000 0.50000000 0.84163500 1.0 O O36 1 0.50000000 0.50000000 0.89461100 1.0 O O37 1 0.50000000 0.50000000 0.94711900 1.0 O O38 1 0.50000000 0.50000000 0.00000000 1.0 O O39 1 0.50000000 0.50000000 0.05288100 1.0 O O40 1 0.50000000 0.50000000 0.10538900 1.0 O O41 1 0.50000000 0.50000000 0.15836500 1.0 O O42 1 0.50000000 0.50000000 0.21050600 1.0 O O43 1 0.50000000 0.50000000 0.26365700 1.0 O O44 1 0.50000000 0.50000000 0.31555900 1.0 O O45 1 0.50000000 0.50000000 0.36840200 1.0 O O46 1 0.50000000 0.50000000 0.42106100 1.0 O O47 1 0.50000000 0.50000000 0.47367300 1.0 O O48 1 0.50000000 0.50000000 0.52632700 1.0 O O49 1 0.50000000 0.50000000 0.57893900 1.0 O O50 1 0.50000000 0.00000000 0.81722300 1.0 O O51 1 0.50000000 0.00000000 0.86626900 1.0 O O52 1 0.50000000 0.00000000 0.92267500 1.0 O O53 1 0.50000000 0.50000000 0.63159800 1.0 O O54 1 0.50000000 0.50000000 0.68444100 1.0 O O55 1 0.50000000 0.00000000 0.97181900 1.0 O O56 1 0.50000000 0.00000000 0.02818100 1.0 O O57 1 0.50000000 0.50000000 0.73634300 1.0 O O58 1 0.50000000 0.00000000 0.07732500 1.0 O O59 1 0.50000000 0.00000000 0.18277700 1.0 O O60 1 0.50000000 0.00000000 0.13373100 1.0 O O61 1 0.50000000 0.00000000 0.23924400 1.0 O O62 1 0.50000000 0.00000000 0.29006600 1.0 O O63 1 0.50000000 0.00000000 0.34214100 1.0 O O64 1 0.50000000 0.00000000 0.44738000 1.0 O O65 1 0.50000000 0.00000000 0.39476800 1.0 O O66 1 0.50000000 0.00000000 0.50000000 1.0 O O67 1 0.50000000 0.00000000 0.60523200 1.0 O O68 1 0.50000000 0.00000000 0.55262000 1.0 O O69 1 0.50000000 0.00000000 0.65785900 1.0 O O70 1 0.50000000 0.00000000 0.76075600 1.0 O O71 1 0.50000000 0.00000000 0.70993400 1.0 O O72 1 0.00000000 0.50000000 0.81722300 1.0 O O73 1 0.00000000 0.50000000 0.86626900 1.0 O O74 1 0.00000000 0.50000000 0.92267500 1.0 O O75 1 0.00000000 0.50000000 0.97181900 1.0 O O76 1 0.00000000 0.50000000 0.02818100 1.0 O O77 1 0.00000000 0.50000000 0.07732500 1.0 O O78 1 0.00000000 0.50000000 0.13373100 1.0 O O79 1 0.00000000 0.50000000 0.18277700 1.0 O O80 1 0.00000000 0.50000000 0.23924400 1.0 O O81 1 0.00000000 0.50000000 0.29006600 1.0 O O82 1 0.00000000 0.50000000 0.34214100 1.0 O O83 1 0.00000000 0.50000000 0.39476800 1.0 O O84 1 0.00000000 0.50000000 0.44738000 1.0 O O85 1 0.00000000 0.50000000 0.50000000 1.0 O O86 1 0.00000000 0.50000000 0.55262000 1.0 O O87 1 0.00000000 0.50000000 0.60523200 1.0 O O88 1 0.00000000 0.50000000 0.65785900 1.0 O O89 1 0.00000000 0.50000000 0.70993400 1.0