# generated using pymatgen data_Ta2Nb3O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.79054400 _cell_length_b 9.66938500 _cell_length_c 16.56708951 _cell_angle_alpha 54.57502751 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Nb3O12 _chemical_formula_sum 'Ta8 Nb12 O48' _cell_volume 1278.03578870 _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 Ta Ta0 1 0.97104500 0.63354600 0.11784400 1.0 Ta Ta1 1 0.03353400 0.13563200 0.61808500 1.0 Ta Ta2 1 0.53353400 0.86436800 0.88191500 1.0 Ta Ta3 1 0.47104500 0.36645400 0.38215600 1.0 Ta Ta4 1 0.52895500 0.63354600 0.61784400 1.0 Ta Ta5 1 0.46646600 0.13563200 0.11808500 1.0 Ta Ta6 1 0.96646600 0.86436800 0.38191500 1.0 Ta Ta7 1 0.02895500 0.36645400 0.88215600 1.0 Nb Nb8 1 0.74956400 0.47508000 0.50016400 1.0 Nb Nb9 1 0.61858700 0.75110300 0.14368100 1.0 Nb Nb10 1 0.88178300 0.03476800 0.85637900 1.0 Nb Nb11 1 0.38178300 0.96523200 0.64362100 1.0 Nb Nb12 1 0.11858700 0.24889700 0.35631900 1.0 Nb Nb13 1 0.24956400 0.52492000 0.99983600 1.0 Nb Nb14 1 0.75043600 0.47508000 0.00016400 1.0 Nb Nb15 1 0.88141300 0.75110300 0.64368100 1.0 Nb Nb16 1 0.61821700 0.03476800 0.35638000 1.0 Nb Nb17 1 0.11821700 0.96523200 0.14362100 1.0 Nb Nb18 1 0.38141300 0.24889700 0.85631900 1.0 Nb Nb19 1 0.25043600 0.52492000 0.49983600 1.0 O O20 1 0.08908900 0.78283900 0.13410800 1.0 O O21 1 0.34981400 0.50043000 0.41155400 1.0 O O22 1 0.16495700 0.31767600 0.59371200 1.0 O O23 1 0.41682800 0.04888900 0.86451500 1.0 O O24 1 0.88255000 0.30387800 0.56826000 1.0 O O25 1 0.80677200 0.69839900 0.16189900 1.0 O O26 1 0.69535300 0.01985800 0.83472000 1.0 O O27 1 0.63013500 0.41663400 0.43600800 1.0 O O28 1 0.99113500 0.06535700 0.75322900 1.0 O O29 1 0.51504700 0.56772100 0.24793900 1.0 O O30 1 0.57034600 0.78891800 0.02314500 1.0 O O31 1 0.93204100 0.83596200 0.97661200 1.0 O O32 1 0.43204100 0.16403800 0.52338800 1.0 O O33 1 0.07034600 0.21108200 0.47685500 1.0 O O34 1 0.01504700 0.43227900 0.25206100 1.0 O O35 1 0.49113500 0.93464300 0.74677100 1.0 O O36 1 0.13013500 0.58336600 0.06399200 1.0 O O37 1 0.19535300 0.98014200 0.66528000 1.0 O O38 1 0.30677200 0.30160100 0.33810100 1.0 O O39 1 0.38255000 0.69612200 0.93174000 1.0 O O40 1 0.84981400 0.49957000 0.08844600 1.0 O O41 1 0.91682800 0.95111100 0.63548500 1.0 O O42 1 0.66495700 0.68232400 0.90628800 1.0 O O43 1 0.58908900 0.21716100 0.36589200 1.0 O O44 1 0.41091100 0.78283900 0.63410800 1.0 O O45 1 0.33504300 0.31767600 0.09371200 1.0 O O46 1 0.08317200 0.04888900 0.36451500 1.0 O O47 1 0.15018600 0.50043000 0.91155400 1.0 O O48 1 0.61745000 0.30387800 0.06826000 1.0 O O49 1 0.69322800 0.69839900 0.66189900 1.0 O O50 1 0.80464700 0.01985800 0.33472000 1.0 O O51 1 0.86986500 0.41663400 0.93600800 1.0 O O52 1 0.50886500 0.06535700 0.25322900 1.0 O O53 1 0.98495300 0.56772100 0.74793900 1.0 O O54 1 0.92965400 0.78891800 0.52314500 1.0 O O55 1 0.56795900 0.83596200 0.47661200 1.0 O O56 1 0.06795900 0.16403800 0.02338800 1.0 O O57 1 0.42965400 0.21108200 0.97685500 1.0 O O58 1 0.48495300 0.43227900 0.75206100 1.0 O O59 1 0.00886500 0.93464300 0.24677100 1.0 O O60 1 0.36986500 0.58336600 0.56399200 1.0 O O61 1 0.30464700 0.98014200 0.16528000 1.0 O O62 1 0.19322800 0.30160100 0.83810100 1.0 O O63 1 0.11745000 0.69612200 0.43174000 1.0 O O64 1 0.58317200 0.95111100 0.13548500 1.0 O O65 1 0.83504300 0.68232400 0.40628800 1.0 O O66 1 0.65018600 0.49957000 0.58844600 1.0 O O67 1 0.91091100 0.21716100 0.86589200 1.0