# generated using pymatgen data_CeNb3O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.90176575 _cell_length_b 11.33322622 _cell_length_c 9.81725235 _cell_angle_alpha 72.95179905 _cell_angle_beta 66.26901566 _cell_angle_gamma 90.00000005 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeNb3O9 _chemical_formula_sum 'Ce4 Nb12 O36' _cell_volume 762.43328174 _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 Ce Ce0 1 0.50000000 -0.00000000 0.00000000 1.0 Ce Ce1 1 -0.00000000 -0.00000000 0.00000000 1.0 Ce Ce2 1 0.66870258 0.33814271 0.66259585 1.0 Ce Ce3 1 0.33129742 0.66185729 0.33740415 1.0 Nb Nb4 1 0.58442072 0.41601025 0.33130103 1.0 Nb Nb5 1 0.92467420 0.08401149 0.65728254 1.0 Nb Nb6 1 0.24957273 0.74204897 0.99406756 1.0 Nb Nb7 1 0.91572176 0.58398975 0.66869897 1.0 Nb Nb8 1 0.24363929 0.25795103 0.00593244 1.0 Nb Nb9 1 0.58195774 0.91598851 0.34271746 1.0 Nb Nb10 1 0.75042727 0.25795103 0.00593244 1.0 Nb Nb11 1 0.07532580 0.91598851 0.34271746 1.0 Nb Nb12 1 0.41557928 0.58398975 0.66869897 1.0 Nb Nb13 1 0.75636071 0.74204897 0.99406756 1.0 Nb Nb14 1 0.08427824 0.41601025 0.33130103 1.0 Nb Nb15 1 0.41804226 0.08401149 0.65728254 1.0 O O16 1 0.66574229 0.33401199 0.16801037 1.0 O O17 1 -0.00000000 -0.00000000 0.50000000 1.0 O O18 1 0.33425771 0.66598801 0.83198963 1.0 O O19 1 0.83375166 0.66598801 0.83198963 1.0 O O20 1 0.16624834 0.33401199 0.16801037 1.0 O O21 1 0.50000000 -0.00000000 0.50000000 1.0 O O22 1 0.82084931 0.15674026 0.84302825 1.0 O O23 1 0.17915069 0.84325974 0.15697175 1.0 O O24 1 0.50000000 0.50000000 0.50000000 1.0 O O25 1 0.66387856 0.84325974 0.15697175 1.0 O O26 1 -0.00000000 0.50000000 0.50000000 1.0 O O27 1 0.33612144 0.15674026 0.84302825 1.0 O O28 1 0.82353210 0.42128358 0.35293480 1.0 O O29 1 0.15694821 0.08678247 0.68610458 1.0 O O30 1 0.49133793 0.76631223 0.01732413 1.0 O O31 1 0.99431477 0.76219374 0.01137046 1.0 O O32 1 0.32690889 0.42814331 0.34618122 1.0 O O33 1 0.65318636 0.08941392 0.69362827 1.0 O O34 1 0.00568523 0.23780626 0.98862954 1.0 O O35 1 0.34681364 0.91058608 0.30637173 1.0 O O36 1 0.67309111 0.57185669 0.65381878 1.0 O O37 1 0.17646790 0.57871642 0.64706520 1.0 O O38 1 0.50866207 0.23368777 0.98267587 1.0 O O39 1 0.84305179 0.91321753 0.31389542 1.0 O O40 1 0.82931341 0.92335184 0.84847950 1.0 O O41 1 0.51228313 0.25343590 0.51100428 1.0 O O42 1 0.18041340 0.58989358 0.17505371 1.0 O O43 1 0.32220809 0.92335184 0.84847950 1.0 O O44 1 0.97671159 0.25343590 0.51100428 1.0 O O45 1 0.64453290 0.58989358 0.17505371 1.0 O O46 1 0.48771687 0.74656410 0.48899572 1.0 O O47 1 0.17068659 0.07664816 0.15152050 1.0 O O48 1 0.81958660 0.41010642 0.82494629 1.0 O O49 1 0.02328841 0.74656410 0.48899572 1.0 O O50 1 0.67779191 0.07664816 0.15152050 1.0 O O51 1 0.35546710 0.41010642 0.82494629 1.0