# generated using pymatgen data_La3Ir3O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.57647900 _cell_length_b 9.57647900 _cell_length_c 9.57647900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3Ir3O11 _chemical_formula_sum 'La12 Ir12 O44' _cell_volume 878.24883415 _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 La La0 1 0.75000000 0.75000000 0.75000000 1.0 La La1 1 0.25000000 0.25000000 0.75000000 1.0 La La2 1 0.75000000 0.25000000 0.25000000 1.0 La La3 1 0.25000000 0.75000000 0.25000000 1.0 La La4 1 0.13525700 0.13525700 0.13525700 1.0 La La5 1 0.86474300 0.86474300 0.13525700 1.0 La La6 1 0.13525700 0.86474300 0.86474300 1.0 La La7 1 0.86474300 0.13525700 0.86474300 1.0 La La8 1 0.36474300 0.36474300 0.36474300 1.0 La La9 1 0.63525700 0.63525700 0.36474300 1.0 La La10 1 0.36474300 0.63525700 0.63525700 1.0 La La11 1 0.63525700 0.36474300 0.63525700 1.0 Ir Ir12 1 0.15779300 0.50000000 0.00000000 1.0 Ir Ir13 1 0.00000000 0.15779300 0.50000000 1.0 Ir Ir14 1 0.50000000 0.00000000 0.15779300 1.0 Ir Ir15 1 0.00000000 0.84220700 0.50000000 1.0 Ir Ir16 1 0.50000000 0.00000000 0.84220700 1.0 Ir Ir17 1 0.84220700 0.50000000 0.00000000 1.0 Ir Ir18 1 0.34220700 0.00000000 0.50000000 1.0 Ir Ir19 1 0.50000000 0.34220700 0.00000000 1.0 Ir Ir20 1 0.00000000 0.50000000 0.34220700 1.0 Ir Ir21 1 0.50000000 0.65779300 0.00000000 1.0 Ir Ir22 1 0.00000000 0.50000000 0.65779300 1.0 Ir Ir23 1 0.65779300 0.00000000 0.50000000 1.0 O O24 1 0.83434700 0.50245400 0.20866800 1.0 O O25 1 0.83434700 0.49754600 0.79133200 1.0 O O26 1 0.16565300 0.50245400 0.79133200 1.0 O O27 1 0.49754600 0.79133200 0.83434700 1.0 O O28 1 0.79133200 0.16565300 0.50245400 1.0 O O29 1 0.79133200 0.83434700 0.49754600 1.0 O O30 1 0.50245400 0.20866800 0.83434700 1.0 O O31 1 0.20866800 0.83434700 0.50245400 1.0 O O32 1 0.50245400 0.79133200 0.16565300 1.0 O O33 1 0.49754600 0.20866800 0.16565300 1.0 O O34 1 0.20866800 0.16565300 0.49754600 1.0 O O35 1 0.16565300 0.49754600 0.20866800 1.0 O O36 1 0.66565300 0.99754600 0.29133200 1.0 O O37 1 0.66565300 0.00245400 0.70866800 1.0 O O38 1 0.33434700 0.99754600 0.70866800 1.0 O O39 1 0.00245400 0.70866800 0.66565300 1.0 O O40 1 0.39456700 0.60543300 0.39456700 1.0 O O41 1 0.70866800 0.33434700 0.99754600 1.0 O O42 1 0.99754600 0.29133200 0.66565300 1.0 O O43 1 0.29133200 0.66565300 0.99754600 1.0 O O44 1 0.99754600 0.70866800 0.33434700 1.0 O O45 1 0.00245400 0.29133200 0.33434700 1.0 O O46 1 0.29133200 0.33434700 0.00245400 1.0 O O47 1 0.33434700 0.00245400 0.29133200 1.0 O O48 1 0.36331700 0.00000000 0.00000000 1.0 O O49 1 0.00000000 0.36331700 0.00000000 1.0 O O50 1 0.00000000 0.00000000 0.36331700 1.0 O O51 1 0.00000000 0.63668300 0.00000000 1.0 O O52 1 0.00000000 0.00000000 0.63668300 1.0 O O53 1 0.63668300 0.00000000 0.00000000 1.0 O O54 1 0.13668300 0.50000000 0.50000000 1.0 O O55 1 0.50000000 0.13668300 0.50000000 1.0 O O56 1 0.50000000 0.50000000 0.13668300 1.0 O O57 1 0.50000000 0.86331700 0.50000000 1.0 O O58 1 0.50000000 0.50000000 0.86331700 1.0 O O59 1 0.86331700 0.50000000 0.50000000 1.0 O O60 1 0.89456700 0.89456700 0.89456700 1.0 O O61 1 0.10543300 0.10543300 0.89456700 1.0 O O62 1 0.89456700 0.10543300 0.10543300 1.0 O O63 1 0.10543300 0.89456700 0.10543300 1.0 O O64 1 0.60543300 0.60543300 0.60543300 1.0 O O65 1 0.39456700 0.39456700 0.60543300 1.0 O O66 1 0.60543300 0.39456700 0.39456700 1.0 O O67 1 0.70866800 0.66565300 0.00245400 1.0