# generated using pymatgen data_Bi3Ir3O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.49239600 _cell_length_b 9.49239600 _cell_length_c 9.49239600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi3Ir3O11 _chemical_formula_sum 'Bi12 Ir12 O44' _cell_volume 855.31786445 _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 0.25000000 1.0 Bi Bi1 1 0.75000000 0.25000000 0.75000000 1.0 Bi Bi2 1 0.86747100 0.86747100 0.86747100 1.0 Bi Bi3 1 0.86747100 0.13252900 0.13252900 1.0 Bi Bi4 1 0.13252900 0.86747100 0.13252900 1.0 Bi Bi5 1 0.13252900 0.13252900 0.86747100 1.0 Bi Bi6 1 0.25000000 0.25000000 0.25000000 1.0 Bi Bi7 1 0.25000000 0.75000000 0.75000000 1.0 Bi Bi8 1 0.36747100 0.36747100 0.63252900 1.0 Bi Bi9 1 0.36747100 0.63252900 0.36747100 1.0 Bi Bi10 1 0.63252900 0.36747100 0.36747100 1.0 Bi Bi11 1 0.63252900 0.63252900 0.63252900 1.0 Ir Ir12 1 0.84141200 0.50000000 0.00000000 1.0 Ir Ir13 1 0.00000000 0.84141200 0.50000000 1.0 Ir Ir14 1 0.00000000 0.50000000 0.34141200 1.0 Ir Ir15 1 0.00000000 0.50000000 0.65858800 1.0 Ir Ir16 1 0.00000000 0.15858800 0.50000000 1.0 Ir Ir17 1 0.15858800 0.50000000 0.00000000 1.0 Ir Ir18 1 0.34141200 0.00000000 0.50000000 1.0 Ir Ir19 1 0.50000000 0.00000000 0.84141200 1.0 Ir Ir20 1 0.50000000 0.00000000 0.15858800 1.0 Ir Ir21 1 0.50000000 0.34141200 0.00000000 1.0 Ir Ir22 1 0.50000000 0.65858800 0.00000000 1.0 Ir Ir23 1 0.65858800 0.00000000 0.50000000 1.0 O O24 1 0.78994900 0.83317500 0.49402800 1.0 O O25 1 0.78994900 0.16682500 0.50597200 1.0 O O26 1 0.83317500 0.49402800 0.78994900 1.0 O O27 1 0.83317500 0.50597200 0.21005100 1.0 O O28 1 0.86002000 0.50000000 0.50000000 1.0 O O29 1 0.89708400 0.89708400 0.10291600 1.0 O O30 1 0.89708400 0.10291600 0.89708400 1.0 O O31 1 0.00597200 0.71005100 0.66682500 1.0 O O32 1 0.00597200 0.28994900 0.33317500 1.0 O O33 1 0.00000000 0.36002000 0.00000000 1.0 O O34 1 0.00000000 0.63998000 0.00000000 1.0 O O35 1 0.00000000 0.00000000 0.36002000 1.0 O O36 1 0.00000000 0.00000000 0.63998000 1.0 O O37 1 0.99402800 0.28994900 0.66682500 1.0 O O38 1 0.99402800 0.71005100 0.33317500 1.0 O O39 1 0.10291600 0.89708400 0.89708400 1.0 O O40 1 0.10291600 0.10291600 0.10291600 1.0 O O41 1 0.13998000 0.50000000 0.50000000 1.0 O O42 1 0.16682500 0.50597200 0.78994900 1.0 O O43 1 0.16682500 0.49402800 0.21005100 1.0 O O44 1 0.21005100 0.83317500 0.50597200 1.0 O O45 1 0.21005100 0.16682500 0.49402800 1.0 O O46 1 0.28994900 0.33317500 0.00597200 1.0 O O47 1 0.28994900 0.66682500 0.99402800 1.0 O O48 1 0.33317500 0.00597200 0.28994900 1.0 O O49 1 0.33317500 0.99402800 0.71005100 1.0 O O50 1 0.36002000 0.00000000 0.00000000 1.0 O O51 1 0.39708400 0.39708400 0.39708400 1.0 O O52 1 0.39708400 0.60291600 0.60291600 1.0 O O53 1 0.50597200 0.78994900 0.16682500 1.0 O O54 1 0.50597200 0.21005100 0.83317500 1.0 O O55 1 0.50000000 0.86002000 0.50000000 1.0 O O56 1 0.50000000 0.13998000 0.50000000 1.0 O O57 1 0.50000000 0.50000000 0.86002000 1.0 O O58 1 0.50000000 0.50000000 0.13998000 1.0 O O59 1 0.49402800 0.78994900 0.83317500 1.0 O O60 1 0.49402800 0.21005100 0.16682500 1.0 O O61 1 0.60291600 0.39708400 0.60291600 1.0 O O62 1 0.60291600 0.60291600 0.39708400 1.0 O O63 1 0.63998000 0.00000000 0.00000000 1.0 O O64 1 0.66682500 0.00597200 0.71005100 1.0 O O65 1 0.66682500 0.99402800 0.28994900 1.0 O O66 1 0.71005100 0.66682500 0.00597200 1.0 O O67 1 0.71005100 0.33317500 0.99402800 1.0