# generated using pymatgen data_Ba3Nd3Co6O17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.65017900 _cell_length_b 8.87369842 _cell_length_c 11.04274277 _cell_angle_alpha 108.66692915 _cell_angle_beta 107.14800154 _cell_angle_gamma 101.58969889 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3Nd3Co6O17 _chemical_formula_sum 'Ba6 Nd6 Co12 O34' _cell_volume 725.37943212 _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 Ba Ba0 1 0.24746300 0.75029600 0.24700900 1.0 Ba Ba1 1 0.58544800 0.75267200 0.58604400 1.0 Ba Ba2 1 0.91884000 0.74902500 0.91725500 1.0 Ba Ba3 1 0.08116000 0.25097500 0.08274500 1.0 Ba Ba4 1 0.41455200 0.24732800 0.41395600 1.0 Ba Ba5 1 0.75253700 0.24970400 0.75299100 1.0 Nd Nd6 1 0.90976200 0.72775200 0.41062500 1.0 Nd Nd7 1 0.25295200 0.74283900 0.75436200 1.0 Nd Nd8 1 0.57523500 0.74151800 0.07210500 1.0 Nd Nd9 1 0.74704800 0.25716100 0.24563800 1.0 Nd Nd10 1 0.09023800 0.27224800 0.58937500 1.0 Nd Nd11 1 0.42476500 0.25848200 0.92789500 1.0 Co Co12 1 0.67160400 0.99928200 0.41722100 1.0 Co Co13 1 0.00422200 0.00117400 0.74546100 1.0 Co Co14 1 0.33678200 0.99837000 0.08096200 1.0 Co Co15 1 0.99577800 0.99882600 0.25453900 1.0 Co Co16 1 0.32839600 0.00071800 0.58277900 1.0 Co Co17 1 0.66321800 0.00163000 0.91903800 1.0 Co Co18 1 0.83545900 0.50074000 0.58313300 1.0 Co Co19 1 0.16862000 0.49743600 0.91490900 1.0 Co Co20 1 0.49803500 0.49845000 0.24901800 1.0 Co Co21 1 0.16454100 0.49926000 0.41686700 1.0 Co Co22 1 0.50196500 0.50155000 0.75098200 1.0 Co Co23 1 0.83138000 0.50256400 0.08509100 1.0 O O24 1 0.87549400 0.00080900 0.56845500 1.0 O O25 1 0.18872500 0.00032900 0.89133000 1.0 O O26 1 0.53968400 0.99932900 0.23867700 1.0 O O27 1 0.12450600 0.99919100 0.43154500 1.0 O O28 1 0.46031600 0.00067100 0.76132300 1.0 O O29 1 0.81127500 0.99967100 0.10867000 1.0 O O30 1 0.67999700 0.50004600 0.41219700 1.0 O O31 1 0.01265000 0.49653400 0.74229300 1.0 O O32 1 0.34668100 0.50098200 0.07486900 1.0 O O33 1 0.98735000 0.50346600 0.25770700 1.0 O O34 1 0.32000300 0.49995400 0.58780300 1.0 O O35 1 0.65331900 0.49901800 0.92513100 1.0 O O36 1 0.62091700 0.77088900 0.32774200 1.0 O O37 1 0.94948500 0.76527800 0.65822700 1.0 O O38 1 0.26855100 0.74977800 0.98960900 1.0 O O39 1 0.77347200 0.22583600 0.47809700 1.0 O O40 1 0.10843500 0.23969800 0.81572300 1.0 O O41 1 0.43353500 0.24866900 0.15592700 1.0 O O42 1 0.05051500 0.23472200 0.34177300 1.0 O O43 1 0.37908300 0.22911100 0.67225800 1.0 O O44 1 0.73144900 0.25022200 0.01039100 1.0 O O45 1 0.89156500 0.76030200 0.18427700 1.0 O O46 1 0.22652800 0.77416400 0.52190300 1.0 O O47 1 0.56646500 0.75133100 0.84407300 1.0 O O48 1 0.18173600 0.99929100 0.16014300 1.0 O O49 1 0.50000000 0.00000000 0.50000000 1.0 O O50 1 0.81826400 0.00070900 0.83985700 1.0 O O51 1 0.00000000 0.50000000 0.50000000 1.0 O O52 1 0.33611800 0.50200900 0.83065500 1.0 O O53 1 0.66388200 0.49799100 0.16934500 1.0 O O54 1 0.33988500 0.50661800 0.33263200 1.0 O O55 1 0.66011500 0.49338200 0.66736800 1.0 O O56 1 0.00000000 0.50000000 0.00000000 1.0 O O57 1 0.50000000 0.00000000 0.00000000 1.0