# generated using pymatgen data_Ti8Ir3PdO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.22472420 _cell_length_b 8.22472366 _cell_length_c 8.21756826 _cell_angle_alpha 60.02877872 _cell_angle_beta 60.02878091 _cell_angle_gamma 60.10563103 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti8Ir3PdO2 _chemical_formula_sum 'Ti16 Ir6 Pd2 O4' _cell_volume 393.55512161 _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 Ti Ti0 1 0.13099206 0.61956603 0.62472095 1.0 Ti Ti1 1 0.61956603 0.13099206 0.62472095 1.0 Ti Ti2 1 0.62412417 0.62412417 0.12456750 1.0 Ti Ti3 1 0.62412417 0.62412417 0.62718515 1.0 Ti Ti4 1 0.82049769 0.82049769 0.17950231 1.0 Ti Ti5 1 0.18194508 0.18194508 0.81805492 1.0 Ti Ti6 1 0.81835664 0.18154066 0.81880821 1.0 Ti Ti7 1 0.18154066 0.81835664 0.18129450 1.0 Ti Ti8 1 0.18154066 0.81835664 0.81880821 1.0 Ti Ti9 1 0.81835664 0.18154066 0.18129450 1.0 Ti Ti10 1 0.43434579 0.43434579 0.06565421 1.0 Ti Ti11 1 0.06343907 0.06343907 0.43656093 1.0 Ti Ti12 1 0.43390837 0.06903575 0.43392304 1.0 Ti Ti13 1 0.06903575 0.43390837 0.06313384 1.0 Ti Ti14 1 0.06903575 0.43390837 0.43392304 1.0 Ti Ti15 1 0.43390837 0.06903575 0.06313384 1.0 Ir Ir16 1 0.40486613 0.40486613 0.78601919 1.0 Ir Ir17 1 0.40486613 0.40486613 0.40425056 1.0 Ir Ir18 1 0.47993858 0.84186866 0.83909588 1.0 Ir Ir19 1 0.84186866 0.47993858 0.83909588 1.0 Ir Ir20 1 0.84180083 0.84180083 0.47962589 1.0 Ir Ir21 1 0.84180083 0.84180083 0.83677146 1.0 Pd Pd22 1 0.77253284 0.41017444 0.40864636 1.0 Pd Pd23 1 0.41017444 0.77253284 0.40864636 1.0 O O24 1 0.62421820 0.12397687 0.12590297 1.0 O O25 1 0.12397687 0.62421820 0.12590297 1.0 O O26 1 0.12462081 0.12462081 0.62424054 1.0 O O27 1 0.12462081 0.12462081 0.12651784 1.0