# generated using pymatgen data_Sc3Si3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03467792 _cell_length_b 10.29051820 _cell_length_c 11.73848435 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Si3Pd _chemical_formula_sum 'Sc12 Si12 Pd4' _cell_volume 487.36927019 _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 Sc Sc0 1 0.25000000 0.87550001 0.02204032 1.0 Sc Sc1 1 0.25000000 0.62449999 0.52204032 1.0 Sc Sc2 1 0.75000000 0.12449999 0.97795968 1.0 Sc Sc3 1 0.75000000 0.37550001 0.47795968 1.0 Sc Sc4 1 0.25000000 0.92119977 0.59983103 1.0 Sc Sc5 1 0.25000000 0.57880023 0.09983103 1.0 Sc Sc6 1 0.75000000 0.07880023 0.40016897 1.0 Sc Sc7 1 0.75000000 0.42119977 0.90016897 1.0 Sc Sc8 1 0.25000000 0.65972617 0.80011867 1.0 Sc Sc9 1 0.25000000 0.84027383 0.30011867 1.0 Sc Sc10 1 0.75000000 0.34027383 0.19988133 1.0 Sc Sc11 1 0.75000000 0.15972617 0.69988133 1.0 Si Si12 1 0.25000000 0.01841768 0.82600285 1.0 Si Si13 1 0.25000000 0.48158232 0.32600285 1.0 Si Si14 1 0.75000000 0.98158232 0.17399715 1.0 Si Si15 1 0.75000000 0.51841768 0.67399715 1.0 Si Si16 1 0.25000000 0.24807351 0.84509681 1.0 Si Si17 1 0.25000000 0.25192649 0.34509681 1.0 Si Si18 1 0.75000000 0.75192649 0.15490319 1.0 Si Si19 1 0.75000000 0.74807351 0.65490319 1.0 Si Si20 1 0.25000000 0.18967514 0.54241362 1.0 Si Si21 1 0.25000000 0.31032486 0.04241362 1.0 Si Si22 1 0.75000000 0.81032486 0.45758638 1.0 Si Si23 1 0.75000000 0.68967514 0.95758638 1.0 Pd Pd24 1 0.25000000 0.38744287 0.67991648 1.0 Pd Pd25 1 0.25000000 0.11255713 0.17991648 1.0 Pd Pd26 1 0.75000000 0.61255713 0.32008352 1.0 Pd Pd27 1 0.75000000 0.88744287 0.82008352 1.0