# generated using pymatgen data_Zr9Ta3PdO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66170055 _cell_length_b 8.66169270 _cell_length_c 8.64994329 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.35736946 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9Ta3PdO3 _chemical_formula_sum 'Zr18 Ta6 Pd2 O6' _cell_volume 565.62144488 _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 Zr Zr0 1 0.45368440 0.90423321 0.25000000 1.0 Zr Zr1 1 0.54631560 0.09576679 0.75000000 1.0 Zr Zr2 1 0.09576679 0.54631560 0.25000000 1.0 Zr Zr3 1 0.90423321 0.45368440 0.75000000 1.0 Zr Zr4 1 0.45558113 0.54441987 0.25000000 1.0 Zr Zr5 1 0.54441887 0.45558013 0.75000000 1.0 Zr Zr6 1 0.20534954 0.41262423 0.55758315 1.0 Zr Zr7 1 0.79465046 0.58737577 0.44241685 1.0 Zr Zr8 1 0.58737477 0.79464946 0.55758415 1.0 Zr Zr9 1 0.79465046 0.58737577 0.05758315 1.0 Zr Zr10 1 0.41262523 0.20535054 0.44241585 1.0 Zr Zr11 1 0.20534954 0.41262423 0.94241685 1.0 Zr Zr12 1 0.20816485 0.79183515 0.57099435 1.0 Zr Zr13 1 0.41262523 0.20535054 0.05758415 1.0 Zr Zr14 1 0.79183515 0.20816485 0.42900565 1.0 Zr Zr15 1 0.58737477 0.79464946 0.94241585 1.0 Zr Zr16 1 0.79183515 0.20816485 0.07099435 1.0 Zr Zr17 1 0.20816485 0.79183515 0.92900565 1.0 Ta Ta18 1 0.11033204 0.22107991 0.25000000 1.0 Ta Ta19 1 0.88966796 0.77892009 0.75000000 1.0 Ta Ta20 1 0.77891909 0.88966896 0.25000000 1.0 Ta Ta21 1 0.22108091 0.11033104 0.75000000 1.0 Ta Ta22 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta23 1 0.00000000 0.00000000 0.50000000 1.0 Pd Pd24 1 0.11497785 0.88502115 0.25000000 1.0 Pd Pd25 1 0.88502215 0.11497885 0.75000000 1.0 O O26 1 0.50000000 0.00000000 0.00000000 1.0 O O27 1 0.00000000 0.50000000 0.00000000 1.0 O O28 1 0.50000000 0.00000000 0.50000000 1.0 O O29 1 0.50000000 0.50000000 0.00000000 1.0 O O30 1 0.00000000 0.50000000 0.50000000 1.0 O O31 1 0.50000000 0.50000000 0.50000000 1.0