# generated using pymatgen data_Ba3YbBi2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.52708428 _cell_length_b 10.52708450 _cell_length_c 10.52708435 _cell_angle_alpha 146.45736522 _cell_angle_beta 132.00405861 _cell_angle_gamma 59.82398291 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3YbBi2O9 _chemical_formula_sum 'Ba6 Yb2 Bi4 O18' _cell_volume 474.68228143 _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 0.75990649 0.50000000 0.25990649 1.0 Ba Ba1 1 0.41575376 0.16953192 0.24622084 1.0 Ba Ba2 1 0.07668892 0.83046808 0.24622084 1.0 Ba Ba3 1 0.24009351 0.50000000 0.74009351 1.0 Ba Ba4 1 0.92331108 0.16953192 0.75377916 1.0 Ba Ba5 1 0.58424624 0.83046808 0.75377916 1.0 Yb Yb6 1 0.16630775 0.66630775 0.50000000 1.0 Yb Yb7 1 0.83369225 0.33369225 0.50000000 1.0 Bi Bi8 1 0.00000000 0.00000000 0.00000000 1.0 Bi Bi9 1 0.66763400 0.66763400 1.00000000 1.0 Bi Bi10 1 0.33236600 0.33236600 0.00000000 1.0 Bi Bi11 1 0.50000000 0.00000000 0.50000000 1.0 O O12 1 0.74504164 1.00000000 0.74504164 1.0 O O13 1 0.42078522 0.66085984 0.75992538 1.0 O O14 1 0.09906554 0.33914016 0.75992538 1.0 O O15 1 0.58118291 0.83441212 0.25323020 1.0 O O16 1 0.25383321 0.50037678 0.24654457 1.0 O O17 1 0.91992555 0.16069709 0.24077154 1.0 O O18 1 0.41881709 0.67204729 0.25323020 1.0 O O19 1 0.08007445 0.32084599 0.24077154 1.0 O O20 1 0.74616679 0.99271136 0.24654457 1.0 O O21 1 0.25495836 0.00000000 0.25495836 1.0 O O22 1 0.90093446 0.66085984 0.24007462 1.0 O O23 1 0.57921478 0.33914016 0.24007462 1.0 O O24 1 0.41881709 0.16558788 0.74676980 1.0 O O25 1 0.08007445 0.83930291 0.75922846 1.0 O O26 1 0.74616679 0.49962322 0.75345543 1.0 O O27 1 0.58118291 0.32795271 0.74676980 1.0 O O28 1 0.25383321 0.00728864 0.75345543 1.0 O O29 1 0.91992555 0.67915401 0.75922846 1.0