# generated using pymatgen data_Ba2BiRuO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13474970 _cell_length_b 6.13474970 _cell_length_c 20.60001900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999677 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2BiRuO6 _chemical_formula_sum 'Ba8 Bi4 Ru4 O24' _cell_volume 671.41642756 _cell_formula_units_Z 4 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 0.66666700 0.33333300 0.64456500 1.0 Ba Ba1 1 0.66666700 0.33333300 0.25000000 1.0 Ba Ba2 1 0.33333300 0.66666700 0.75000000 1.0 Ba Ba3 1 0.00000000 0.00000000 0.50000000 1.0 Ba Ba4 1 0.33333300 0.66666700 0.14456500 1.0 Ba Ba5 1 0.33333300 0.66666700 0.35543500 1.0 Ba Ba6 1 0.66666700 0.33333300 0.85543500 1.0 Ba Ba7 1 0.00000000 0.00000000 0.00000000 1.0 Bi Bi8 1 0.66666700 0.33333300 0.43886800 1.0 Bi Bi9 1 0.33333300 0.66666700 0.56113200 1.0 Bi Bi10 1 0.66666700 0.33333300 0.06113200 1.0 Bi Bi11 1 0.33333300 0.66666700 0.93886800 1.0 Ru Ru12 1 0.00000000 0.00000000 0.68334100 1.0 Ru Ru13 1 0.00000000 0.00000000 0.31665900 1.0 Ru Ru14 1 0.00000000 0.00000000 0.81665900 1.0 Ru Ru15 1 0.00000000 0.00000000 0.18334100 1.0 O O16 1 0.15835300 0.84164700 0.63660500 1.0 O O17 1 0.84757400 0.69514900 0.75000000 1.0 O O18 1 0.15835300 0.31670500 0.86339500 1.0 O O19 1 0.84164700 0.15835300 0.36339500 1.0 O O20 1 0.15835300 0.31670500 0.63660500 1.0 O O21 1 0.50000000 0.00000000 0.00000000 1.0 O O22 1 0.68329500 0.84164700 0.63660500 1.0 O O23 1 0.15242600 0.30485100 0.25000000 1.0 O O24 1 0.15242600 0.84757400 0.25000000 1.0 O O25 1 0.84164700 0.68329500 0.13660500 1.0 O O26 1 0.30485100 0.15242600 0.75000000 1.0 O O27 1 0.31670500 0.15835300 0.13660500 1.0 O O28 1 0.50000000 0.00000000 0.50000000 1.0 O O29 1 0.69514900 0.84757400 0.25000000 1.0 O O30 1 0.31670500 0.15835300 0.36339500 1.0 O O31 1 0.84164700 0.15835300 0.13660500 1.0 O O32 1 0.84164700 0.68329500 0.36339500 1.0 O O33 1 0.00000000 0.50000000 0.50000000 1.0 O O34 1 0.50000000 0.50000000 0.50000000 1.0 O O35 1 0.68329500 0.84164700 0.86339500 1.0 O O36 1 0.84757400 0.15242600 0.75000000 1.0 O O37 1 0.00000000 0.50000000 0.00000000 1.0 O O38 1 0.15835300 0.84164700 0.86339500 1.0 O O39 1 0.50000000 0.50000000 0.00000000 1.0