# generated using pymatgen data_Zr4Pd2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.84498474 _cell_length_b 8.84513106 _cell_length_c 8.84486055 _cell_angle_alpha 59.99721666 _cell_angle_beta 59.99663323 _cell_angle_gamma 59.99798310 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Pd2O _chemical_formula_sum 'Zr16 Pd8 O4' _cell_volume 489.27220584 _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 Zr Zr0 1 0.31839871 0.68156267 0.31842803 1.0 Zr Zr1 1 0.93157545 0.56840313 0.93159452 1.0 Zr Zr2 1 0.68159530 0.31838145 0.68163083 1.0 Zr Zr3 1 0.68156182 0.31839777 0.31842827 1.0 Zr Zr4 1 0.31839663 0.68158289 0.68161862 1.0 Zr Zr5 1 0.62498521 0.12505010 0.12497377 1.0 Zr Zr6 1 0.93159372 0.93159578 0.56842430 1.0 Zr Zr7 1 0.68160310 0.68160740 0.31840346 1.0 Zr Zr8 1 0.12505125 0.62498520 0.12496816 1.0 Zr Zr9 1 0.12501507 0.12500729 0.62502089 1.0 Zr Zr10 1 0.31839423 0.31839349 0.68160013 1.0 Zr Zr11 1 0.12502109 0.12502194 0.12494419 1.0 Zr Zr12 1 0.56839017 0.56838992 0.93161389 1.0 Zr Zr13 1 0.56839976 0.93158759 0.93160551 1.0 Zr Zr14 1 0.93158840 0.56837051 0.56842172 1.0 Zr Zr15 1 0.56837213 0.93159165 0.56842091 1.0 Pd Pd16 1 0.27294224 0.90903534 0.90900161 1.0 Pd Pd17 1 0.90905376 0.90905568 0.90902086 1.0 Pd Pd18 1 0.90902152 0.90902405 0.27294401 1.0 Pd Pd19 1 0.34098358 0.97709409 0.34096114 1.0 Pd Pd20 1 0.34096533 0.34096264 0.34093945 1.0 Pd Pd21 1 0.97706990 0.34099098 0.34096922 1.0 Pd Pd22 1 0.34099077 0.34098763 0.97705302 1.0 Pd Pd23 1 0.90903866 0.27292311 0.90900776 1.0 O O24 1 0.62499508 0.62499453 0.62503156 1.0 O O25 1 0.12502735 0.62496877 0.62500632 1.0 O O26 1 0.62500230 0.62500680 0.12495814 1.0 O O27 1 0.62496747 0.12502757 0.62500971 1.0