# generated using pymatgen data_Ba6Bi6O17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.92870754 _cell_length_b 10.92870754 _cell_length_c 10.92870754 _cell_angle_alpha 146.28746451 _cell_angle_beta 133.11498584 _cell_angle_gamma 58.98266189 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba6Bi6O17 _chemical_formula_sum 'Ba6 Bi6 O17' _cell_volume 524.26658047 _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 0.50000000 0.00000000 0.50000000 1.0 Ba Ba1 1 0.17760700 0.67760700 0.50000000 1.0 Ba Ba2 1 0.33191800 0.33191800 0.00000000 1.0 Ba Ba3 1 0.00000000 0.00000000 0.00000000 1.0 Ba Ba4 1 0.66808200 0.66808200 0.00000000 1.0 Ba Ba5 1 0.82239300 0.32239300 0.50000000 1.0 Bi Bi6 1 0.24818800 0.50000000 0.74818800 1.0 Bi Bi7 1 0.08279600 0.83427900 0.24851700 1.0 Bi Bi8 1 0.75181200 0.50000000 0.25181200 1.0 Bi Bi9 1 0.58576200 0.83427900 0.75148300 1.0 Bi Bi10 1 0.41423800 0.16572100 0.24851700 1.0 Bi Bi11 1 0.91720400 0.16572100 0.75148300 1.0 O O12 1 0.16094500 0.66954300 0.99645300 1.0 O O13 1 0.16094500 0.16449100 0.49140200 1.0 O O14 1 0.33245300 0.83245300 0.50000000 1.0 O O15 1 0.50000000 0.50000000 0.00000000 1.0 O O16 1 0.16756100 0.16756100 0.00000000 1.0 O O17 1 0.67309000 0.66954300 0.50859800 1.0 O O18 1 0.67309000 0.16449100 0.00354700 1.0 O O19 1 0.50000000 0.50000000 0.50000000 1.0 O O20 1 0.50000000 0.00000000 0.00000000 1.0 O O21 1 0.32691000 0.83550900 0.99645300 1.0 O O22 1 0.32691000 0.33045700 0.49140200 1.0 O O23 1 0.83243900 0.83243900 0.00000000 1.0 O O24 1 0.66754700 0.16754700 0.50000000 1.0 O O25 1 0.00000000 0.50000000 0.00000000 1.0 O O26 1 0.83905500 0.83550900 0.50859800 1.0 O O27 1 0.83905500 0.33045700 0.00354700 1.0 O O28 1 0.00000000 0.00000000 0.50000000 1.0