# generated using pymatgen data_Ca7Ce(Si3Pd)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.22228818 _cell_length_b 8.22228773 _cell_length_c 8.47578377 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999386 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca7Ce(Si3Pd)4 _chemical_formula_sum 'Ca7 Ce1 Si12 Pd4' _cell_volume 496.24471147 _cell_formula_units_Z 1 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 0.50054515 0.00109130 0.25000000 1.0 Ca Ca1 1 0.49944718 0.99889536 0.75000000 1.0 Ca Ca2 1 0.99890870 0.49945485 0.25000000 1.0 Ca Ca3 1 0.00110464 0.50055282 0.75000000 1.0 Ca Ca4 1 0.50054515 0.49945485 0.25000000 1.0 Ca Ca5 1 0.49944718 0.50055282 0.75000000 1.0 Ca Ca6 1 0.00000000 0.00000000 0.25000000 1.0 Ce Ce7 1 0.00000000 0.00000000 0.75000000 1.0 Si Si8 1 0.16529025 0.33058149 0.99717142 1.0 Si Si9 1 0.83471078 0.66942157 0.99657704 1.0 Si Si10 1 0.66941851 0.83470975 0.99717142 1.0 Si Si11 1 0.83471078 0.66942157 0.50342296 1.0 Si Si12 1 0.33057843 0.16528922 0.99657704 1.0 Si Si13 1 0.16529025 0.33058149 0.50282858 1.0 Si Si14 1 0.16529025 0.83470975 0.99717142 1.0 Si Si15 1 0.33057843 0.16528922 0.50342296 1.0 Si Si16 1 0.83471078 0.16528922 0.99657704 1.0 Si Si17 1 0.66941851 0.83470975 0.50282858 1.0 Si Si18 1 0.83471078 0.16528922 0.50342296 1.0 Si Si19 1 0.16529025 0.83470975 0.50282858 1.0 Pd Pd20 1 0.33333300 0.66666700 0.00336719 1.0 Pd Pd21 1 0.66666700 0.33333300 0.00163993 1.0 Pd Pd22 1 0.66666700 0.33333300 0.49836007 1.0 Pd Pd23 1 0.33333300 0.66666700 0.49663281 1.0