# generated using pymatgen data_Ca2ZnSiPd13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.83121403 _cell_length_b 8.82058288 _cell_length_c 7.01060629 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.65912262 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2ZnSiPd13 _chemical_formula_sum 'Ca4 Zn2 Si2 Pd26' _cell_volume 546.06524388 _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 Ca Ca0 1 0.51190162 0.00000000 0.93424288 1.0 Ca Ca1 1 0.98809838 0.50000000 0.06575712 1.0 Ca Ca2 1 0.00533447 0.00000000 0.49946536 1.0 Ca Ca3 1 0.49466553 0.50000000 0.50053464 1.0 Zn Zn4 1 0.25000000 0.75000000 0.00000000 1.0 Zn Zn5 1 0.25000000 0.25000000 0.00000000 1.0 Si Si6 1 0.50668803 0.00000000 0.44293634 1.0 Si Si7 1 0.99331197 0.50000000 0.55706366 1.0 Pd Pd8 1 0.33759802 0.83546061 0.61073100 1.0 Pd Pd9 1 0.33759802 0.16453939 0.61073100 1.0 Pd Pd10 1 0.66866823 0.83199727 0.61901373 1.0 Pd Pd11 1 0.66866823 0.16800273 0.61901373 1.0 Pd Pd12 1 0.16240198 0.66453939 0.38926900 1.0 Pd Pd13 1 0.16240198 0.33546061 0.38926900 1.0 Pd Pd14 1 0.83133177 0.66800273 0.38098627 1.0 Pd Pd15 1 0.83133177 0.33199727 0.38098627 1.0 Pd Pd16 1 0.49910260 0.76855341 0.25320503 1.0 Pd Pd17 1 0.49910260 0.23144659 0.25320503 1.0 Pd Pd18 1 0.27329844 0.00000000 0.25181918 1.0 Pd Pd19 1 0.73516299 0.00000000 0.25642374 1.0 Pd Pd20 1 0.00089740 0.73144659 0.74679497 1.0 Pd Pd21 1 0.00089740 0.26855341 0.74679497 1.0 Pd Pd22 1 0.22670156 0.50000000 0.74818082 1.0 Pd Pd23 1 0.76483701 0.50000000 0.74357626 1.0 Pd Pd24 1 0.49043859 0.34381798 0.86171798 1.0 Pd Pd25 1 0.49043859 0.65618202 0.86171798 1.0 Pd Pd26 1 0.85583818 0.00000000 0.85677029 1.0 Pd Pd27 1 0.16813921 0.00000000 0.86368263 1.0 Pd Pd28 1 0.00956141 0.15618202 0.13828202 1.0 Pd Pd29 1 0.00956141 0.84381798 0.13828202 1.0 Pd Pd30 1 0.64416182 0.50000000 0.14322971 1.0 Pd Pd31 1 0.33186079 0.50000000 0.13631737 1.0 Pd Pd32 1 0.75000000 0.75000000 0.00000000 1.0 Pd Pd33 1 0.75000000 0.25000000 0.00000000 1.0