# generated using pymatgen data_Ba2Nb15O32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.79030512 _cell_length_b 12.79030513 _cell_length_c 12.79030575 _cell_angle_alpha 35.80393833 _cell_angle_beta 35.80393827 _cell_angle_gamma 35.80394087 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Nb15O32 _chemical_formula_sum 'Ba2 Nb15 O32' _cell_volume 640.28091850 _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 Ba Ba0 1 0.63827636 0.63827636 0.63827636 1.0 Ba Ba1 1 0.36172364 0.36172364 0.36172364 1.0 Nb Nb2 1 0.86064809 0.86064809 0.86064809 1.0 Nb Nb3 1 0.13935191 0.13935191 0.13935191 1.0 Nb Nb4 1 0.72541942 0.55777904 0.31581867 1.0 Nb Nb5 1 0.31581867 0.72541942 0.55777904 1.0 Nb Nb6 1 0.55777904 0.31581867 0.72541942 1.0 Nb Nb7 1 0.27458058 0.44222096 0.68418133 1.0 Nb Nb8 1 0.68418133 0.27458058 0.44222096 1.0 Nb Nb9 1 0.44222096 0.68418133 0.27458058 1.0 Nb Nb10 1 0.92171577 0.81085877 0.46807797 1.0 Nb Nb11 1 0.46807797 0.92171577 0.81085877 1.0 Nb Nb12 1 0.81085877 0.46807797 0.92171577 1.0 Nb Nb13 1 0.07828423 0.18914123 0.53192203 1.0 Nb Nb14 1 0.53192203 0.07828423 0.18914123 1.0 Nb Nb15 1 0.18914123 0.53192203 0.07828423 1.0 Nb Nb16 1 0.00000000 0.00000000 -0.00000000 1.0 O O17 1 0.95016414 0.18763406 0.76596717 1.0 O O18 1 0.76596717 0.95016414 0.18763406 1.0 O O19 1 0.18763406 0.76596717 0.95016414 1.0 O O20 1 0.04983586 0.81236594 0.23403283 1.0 O O21 1 0.23403283 0.04983586 0.81236594 1.0 O O22 1 0.81236594 0.23403283 0.04983586 1.0 O O23 1 0.47081630 0.35158642 0.05894169 1.0 O O24 1 0.05894169 0.47081630 0.35158642 1.0 O O25 1 0.35158642 0.05894169 0.47081630 1.0 O O26 1 0.52918370 0.64841358 0.94105831 1.0 O O27 1 0.94105831 0.52918370 0.64841358 1.0 O O28 1 0.64841358 0.94105831 0.52918370 1.0 O O29 1 0.06983516 0.95687638 0.66156576 1.0 O O30 1 0.66156576 0.06983516 0.95687638 1.0 O O31 1 0.95687638 0.66156576 0.06983516 1.0 O O32 1 0.93016484 0.04312362 0.33843424 1.0 O O33 1 0.33843424 0.93016484 0.04312362 1.0 O O34 1 0.53626248 0.80193477 0.36721113 1.0 O O35 1 0.80193477 0.36721113 0.53626248 1.0 O O36 1 0.36721113 0.53626248 0.80193477 1.0 O O37 1 0.46373752 0.19806523 0.63278887 1.0 O O38 1 0.19806523 0.63278887 0.46373752 1.0 O O39 1 0.63278887 0.46373752 0.19806523 1.0 O O40 1 0.76527241 0.07297501 0.66110167 1.0 O O41 1 0.07297501 0.66110167 0.76527241 1.0 O O42 1 0.66110167 0.76527241 0.07297501 1.0 O O43 1 0.23472759 0.92702499 0.33889833 1.0 O O44 1 0.92702499 0.33889833 0.23472759 1.0 O O45 1 0.33889833 0.23472759 0.92702499 1.0 O O46 1 0.23803016 0.23803016 0.23803016 1.0 O O47 1 0.76196984 0.76196984 0.76196984 1.0 O O48 1 0.04312362 0.33843424 0.93016484 1.0