# generated using pymatgen data_Ba3BiRu2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02182255 _cell_length_b 6.02182255 _cell_length_c 14.85538241 _cell_angle_alpha 89.17740016 _cell_angle_beta 89.17740016 _cell_angle_gamma 120.09383161 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3BiRu2O9 _chemical_formula_sum 'Ba6 Bi2 Ru4 O18' _cell_volume 465.88567767 _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 0.99740400 0.00259600 0.75000000 1.0 Ba Ba1 1 0.66977600 0.33859000 0.40432600 1.0 Ba Ba2 1 0.66141000 0.33022400 0.09567400 1.0 Ba Ba3 1 0.33022400 0.66141000 0.59567400 1.0 Ba Ba4 1 0.00259600 0.99740400 0.25000000 1.0 Ba Ba5 1 0.33859000 0.66977600 0.90432600 1.0 Bi Bi6 1 0.00000000 0.00000000 0.50000000 1.0 Bi Bi7 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru8 1 0.65386800 0.32198900 0.66592400 1.0 Ru Ru9 1 0.67801100 0.34613200 0.83407600 1.0 Ru Ru10 1 0.32198900 0.65386800 0.16592400 1.0 Ru Ru11 1 0.34613200 0.67801100 0.33407600 1.0 O O12 1 0.97384000 0.49777600 0.73986000 1.0 O O13 1 0.80154500 0.14652300 0.59611600 1.0 O O14 1 0.85347700 0.19845500 0.90388400 1.0 O O15 1 0.19845500 0.85347700 0.40388400 1.0 O O16 1 0.13552200 0.32854800 0.10016100 1.0 O O17 1 0.86447800 0.67145200 0.89983900 1.0 O O18 1 0.67145200 0.86447800 0.39983900 1.0 O O19 1 0.60457900 0.77988600 0.07552200 1.0 O O20 1 0.14652300 0.80154500 0.09611600 1.0 O O21 1 0.32854800 0.13552200 0.60016100 1.0 O O22 1 0.50893600 0.49106400 0.75000000 1.0 O O23 1 0.50222400 0.02616000 0.76014000 1.0 O O24 1 0.49777600 0.97384000 0.23986000 1.0 O O25 1 0.49106400 0.50893600 0.25000000 1.0 O O26 1 0.39542100 0.22011400 0.92447800 1.0 O O27 1 0.77988600 0.60457900 0.57552200 1.0 O O28 1 0.22011400 0.39542100 0.42447800 1.0 O O29 1 0.02616000 0.50222400 0.26014000 1.0