# generated using pymatgen data_Zr(SiPd)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.09887397 _cell_length_b 8.09887397 _cell_length_c 7.13201100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 152.49178569 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr(SiPd)3 _chemical_formula_sum 'Zr2 Si6 Pd6' _cell_volume 216.06602001 _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 0.98880900 0.01119100 0.25000000 1.0 Zr Zr1 1 0.01119100 0.98880900 0.75000000 1.0 Si Si2 1 0.57364100 0.42635900 0.03228700 1.0 Si Si3 1 0.42635900 0.57364100 0.96771300 1.0 Si Si4 1 0.42635900 0.57364100 0.53228700 1.0 Si Si5 1 0.57364100 0.42635900 0.46771300 1.0 Si Si6 1 0.73823200 0.26176800 0.25000000 1.0 Si Si7 1 0.26176800 0.73823200 0.75000000 1.0 Pd Pd8 1 0.33975000 0.66025000 0.25000000 1.0 Pd Pd9 1 0.66025000 0.33975000 0.75000000 1.0 Pd Pd10 1 0.82466900 0.17533100 0.55307500 1.0 Pd Pd11 1 0.17533100 0.82466900 0.44692500 1.0 Pd Pd12 1 0.17533100 0.82466900 0.05307500 1.0 Pd Pd13 1 0.82466900 0.17533100 0.94692500 1.0