# generated using pymatgen data_Nb12O29 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.75310921 _cell_length_b 10.75310921 _cell_length_c 29.50085700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 159.30068951 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb12O29 _chemical_formula_sum 'Nb24 O58' _cell_volume 1205.72266554 _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 Nb Nb0 1 0.53504000 0.46496000 0.18494800 1.0 Nb Nb1 1 0.46496000 0.53504000 0.81505200 1.0 Nb Nb2 1 0.46496000 0.53504000 0.68494800 1.0 Nb Nb3 1 0.53504000 0.46496000 0.31505200 1.0 Nb Nb4 1 0.35219700 0.64780300 0.18481900 1.0 Nb Nb5 1 0.64780300 0.35219700 0.81518100 1.0 Nb Nb6 1 0.64780300 0.35219700 0.68481900 1.0 Nb Nb7 1 0.35219700 0.64780300 0.31518100 1.0 Nb Nb8 1 0.16895400 0.83104600 0.18453300 1.0 Nb Nb9 1 0.83104600 0.16895400 0.81546700 1.0 Nb Nb10 1 0.83104600 0.16895400 0.68453300 1.0 Nb Nb11 1 0.16895400 0.83104600 0.31546700 1.0 Nb Nb12 1 0.16917400 0.83082600 0.05046600 1.0 Nb Nb13 1 0.83082600 0.16917400 0.94953400 1.0 Nb Nb14 1 0.83082600 0.16917400 0.55046600 1.0 Nb Nb15 1 0.16917400 0.83082600 0.44953400 1.0 Nb Nb16 1 0.35201000 0.64799000 0.04830400 1.0 Nb Nb17 1 0.64799000 0.35201000 0.95169600 1.0 Nb Nb18 1 0.64799000 0.35201000 0.54830400 1.0 Nb Nb19 1 0.35201000 0.64799000 0.45169600 1.0 Nb Nb20 1 0.53655100 0.46344900 0.05071400 1.0 Nb Nb21 1 0.46344900 0.53655100 0.94928600 1.0 Nb Nb22 1 0.46344900 0.53655100 0.55071400 1.0 Nb Nb23 1 0.53655100 0.46344900 0.44928600 1.0 O O24 1 0.45803600 0.54196400 0.75000000 1.0 O O25 1 0.54196400 0.45803600 0.25000000 1.0 O O26 1 0.44787400 0.55212600 0.18431700 1.0 O O27 1 0.55212600 0.44787400 0.81568300 1.0 O O28 1 0.55212600 0.44787400 0.68431700 1.0 O O29 1 0.44787400 0.55212600 0.31568300 1.0 O O30 1 0.65064600 0.34935400 0.75000000 1.0 O O31 1 0.34935400 0.65064600 0.25000000 1.0 O O32 1 0.85152600 0.14847400 0.17552200 1.0 O O33 1 0.14847400 0.85152600 0.82447800 1.0 O O34 1 0.14847400 0.85152600 0.67552200 1.0 O O35 1 0.85152600 0.14847400 0.32447800 1.0 O O36 1 0.25577500 0.74422500 0.18030200 1.0 O O37 1 0.74422500 0.25577500 0.81969800 1.0 O O38 1 0.74422500 0.25577500 0.68030200 1.0 O O39 1 0.25577500 0.74422500 0.31969800 1.0 O O40 1 0.83443600 0.16556400 0.75000000 1.0 O O41 1 0.16556400 0.83443600 0.25000000 1.0 O O42 1 0.06036800 0.93963200 0.18013200 1.0 O O43 1 0.93963200 0.06036800 0.81986800 1.0 O O44 1 0.93963200 0.06036800 0.68013200 1.0 O O45 1 0.06036800 0.93963200 0.31986800 1.0 O O46 1 0.64344600 0.35655400 0.17980300 1.0 O O47 1 0.35655400 0.64344600 0.82019700 1.0 O O48 1 0.64428300 0.35571700 0.46331800 1.0 O O49 1 0.35571700 0.64428300 0.53668200 1.0 O O50 1 0.35571700 0.64428300 0.96331800 1.0 O O51 1 0.64428300 0.35571700 0.03668200 1.0 O O52 1 0.06134600 0.93865400 0.45634700 1.0 O O53 1 0.93865400 0.06134600 0.54365300 1.0 O O54 1 0.93865400 0.06134600 0.95634700 1.0 O O55 1 0.06134600 0.93865400 0.04365300 1.0 O O56 1 0.45068100 0.54931900 0.46892700 1.0 O O57 1 0.54931900 0.45068100 0.53107300 1.0 O O58 1 0.54931900 0.45068100 0.96892700 1.0 O O59 1 0.45068100 0.54931900 0.03107300 1.0 O O60 1 0.53220000 0.46780000 0.38820100 1.0 O O61 1 0.46780000 0.53220000 0.61179900 1.0 O O62 1 0.46780000 0.53220000 0.88820100 1.0 O O63 1 0.53220000 0.46780000 0.11179900 1.0 O O64 1 0.84961400 0.15038600 0.47162900 1.0 O O65 1 0.15038600 0.84961400 0.52837100 1.0 O O66 1 0.15038600 0.84961400 0.97162900 1.0 O O67 1 0.84961400 0.15038600 0.02837100 1.0 O O68 1 0.25670400 0.74329600 0.45764400 1.0 O O69 1 0.74329600 0.25670400 0.54235600 1.0 O O70 1 0.74329600 0.25670400 0.95764400 1.0 O O71 1 0.25670400 0.74329600 0.04235600 1.0 O O72 1 0.35863300 0.64136700 0.39153200 1.0 O O73 1 0.64136700 0.35863300 0.60846800 1.0 O O74 1 0.64136700 0.35863300 0.89153200 1.0 O O75 1 0.35863300 0.64136700 0.10846800 1.0 O O76 1 0.16436100 0.83563900 0.38830000 1.0 O O77 1 0.83563900 0.16436100 0.61170000 1.0 O O78 1 0.83563900 0.16436100 0.88830000 1.0 O O79 1 0.16436100 0.83563900 0.11170000 1.0 O O80 1 0.64344600 0.35655400 0.32019700 1.0 O O81 1 0.35655400 0.64344600 0.67980300 1.0