# generated using pymatgen data_Bi3Ru3O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.40169400 _cell_length_b 9.40169400 _cell_length_c 9.40169400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi3Ru3O11 _chemical_formula_sum 'Bi12 Ru12 O44' _cell_volume 831.03312645 _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 Bi Bi0 1 0.75000000 0.75000000 0.75000000 1.0 Bi Bi1 1 0.25000000 0.25000000 0.75000000 1.0 Bi Bi2 1 0.75000000 0.25000000 0.25000000 1.0 Bi Bi3 1 0.25000000 0.75000000 0.25000000 1.0 Bi Bi4 1 0.13378500 0.13378500 0.13378500 1.0 Bi Bi5 1 0.86621500 0.86621500 0.13378500 1.0 Bi Bi6 1 0.13378500 0.86621500 0.86621500 1.0 Bi Bi7 1 0.86621500 0.13378500 0.86621500 1.0 Bi Bi8 1 0.36621500 0.36621500 0.36621500 1.0 Bi Bi9 1 0.63378500 0.63378500 0.36621500 1.0 Bi Bi10 1 0.36621500 0.63378500 0.63378500 1.0 Bi Bi11 1 0.63378500 0.36621500 0.63378500 1.0 Ru Ru12 1 0.13633500 0.50000000 0.00000000 1.0 Ru Ru13 1 0.00000000 0.13633500 0.50000000 1.0 Ru Ru14 1 0.50000000 0.00000000 0.13633500 1.0 Ru Ru15 1 0.00000000 0.86366500 0.50000000 1.0 Ru Ru16 1 0.50000000 0.00000000 0.86366500 1.0 Ru Ru17 1 0.86366500 0.50000000 0.00000000 1.0 Ru Ru18 1 0.36366500 0.00000000 0.50000000 1.0 Ru Ru19 1 0.50000000 0.36366500 0.00000000 1.0 Ru Ru20 1 0.00000000 0.50000000 0.36366500 1.0 Ru Ru21 1 0.50000000 0.63633500 0.00000000 1.0 Ru Ru22 1 0.00000000 0.50000000 0.63633500 1.0 Ru Ru23 1 0.63633500 0.00000000 0.50000000 1.0 O O24 1 0.33898200 0.00000000 0.00000000 1.0 O O25 1 0.00000000 0.33898200 0.00000000 1.0 O O26 1 0.00000000 0.00000000 0.33898200 1.0 O O27 1 0.00000000 0.66101800 0.00000000 1.0 O O28 1 0.00000000 0.00000000 0.66101800 1.0 O O29 1 0.66101800 0.00000000 0.00000000 1.0 O O30 1 0.16101800 0.50000000 0.50000000 1.0 O O31 1 0.50000000 0.16101800 0.50000000 1.0 O O32 1 0.50000000 0.50000000 0.16101800 1.0 O O33 1 0.50000000 0.83898200 0.50000000 1.0 O O34 1 0.50000000 0.50000000 0.83898200 1.0 O O35 1 0.83898200 0.50000000 0.50000000 1.0 O O36 1 0.89680700 0.89680700 0.89680700 1.0 O O37 1 0.10319300 0.10319300 0.89680700 1.0 O O38 1 0.89680700 0.10319300 0.10319300 1.0 O O39 1 0.10319300 0.89680700 0.10319300 1.0 O O40 1 0.60319300 0.60319300 0.60319300 1.0 O O41 1 0.39680700 0.39680700 0.60319300 1.0 O O42 1 0.60319300 0.39680700 0.39680700 1.0 O O43 1 0.39680700 0.60319300 0.39680700 1.0 O O44 1 0.34935100 0.99339200 0.28583800 1.0 O O45 1 0.28583800 0.34935100 0.99339200 1.0 O O46 1 0.99339200 0.28583800 0.34935100 1.0 O O47 1 0.00660800 0.71416200 0.34935100 1.0 O O48 1 0.28583800 0.65064900 0.00660800 1.0 O O49 1 0.00660800 0.28583800 0.65064900 1.0 O O50 1 0.71416200 0.65064900 0.99339200 1.0 O O51 1 0.71416200 0.34935100 0.00660800 1.0 O O52 1 0.99339200 0.71416200 0.65064900 1.0 O O53 1 0.34935100 0.00660800 0.71416200 1.0 O O54 1 0.65064900 0.99339200 0.71416200 1.0 O O55 1 0.65064900 0.00660800 0.28583800 1.0 O O56 1 0.15064900 0.50660800 0.21416200 1.0 O O57 1 0.21416200 0.15064900 0.50660800 1.0 O O58 1 0.50660800 0.21416200 0.15064900 1.0 O O59 1 0.49339200 0.78583800 0.15064900 1.0 O O60 1 0.21416200 0.84935100 0.49339200 1.0 O O61 1 0.49339200 0.21416200 0.84935100 1.0 O O62 1 0.78583800 0.84935100 0.50660800 1.0 O O63 1 0.78583800 0.15064900 0.49339200 1.0 O O64 1 0.50660800 0.78583800 0.84935100 1.0 O O65 1 0.15064900 0.49339200 0.78583800 1.0 O O66 1 0.84935100 0.50660800 0.78583800 1.0 O O67 1 0.84935100 0.49339200 0.21416200 1.0