# generated using pymatgen data_BaSiPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50949723 _cell_length_b 5.74896162 _cell_length_c 12.45433013 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSiPd4 _chemical_formula_sum 'Ba4 Si4 Pd16' _cell_volume 466.07652528 _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 Ba Ba0 1 0.19244188 0.25000000 0.33525439 1.0 Ba Ba1 1 0.69244188 0.25000000 0.16474561 1.0 Ba Ba2 1 0.80755812 0.75000000 0.66474561 1.0 Ba Ba3 1 0.30755812 0.75000000 0.83525439 1.0 Si Si4 1 0.09393728 0.25000000 0.94864286 1.0 Si Si5 1 0.59393728 0.25000000 0.55135714 1.0 Si Si6 1 0.90606272 0.75000000 0.05135714 1.0 Si Si7 1 0.40606272 0.75000000 0.44864286 1.0 Pd Pd8 1 0.08957442 0.25000000 0.75932894 1.0 Pd Pd9 1 0.58957442 0.25000000 0.74067106 1.0 Pd Pd10 1 0.91042558 0.75000000 0.24067106 1.0 Pd Pd11 1 0.41042558 0.75000000 0.25932894 1.0 Pd Pd12 1 0.44766915 0.25000000 0.94745225 1.0 Pd Pd13 1 0.94766915 0.25000000 0.55254775 1.0 Pd Pd14 1 0.55233085 0.75000000 0.05254775 1.0 Pd Pd15 1 0.05233085 0.75000000 0.44745225 1.0 Pd Pd16 1 0.31199361 0.00481343 0.59156483 1.0 Pd Pd17 1 0.81199361 0.49518657 0.90843517 1.0 Pd Pd18 1 0.68800639 0.50481343 0.40843517 1.0 Pd Pd19 1 0.18800639 0.99518657 0.09156483 1.0 Pd Pd20 1 0.68800639 0.99518657 0.40843517 1.0 Pd Pd21 1 0.18800639 0.50481343 0.09156483 1.0 Pd Pd22 1 0.31199361 0.49518657 0.59156483 1.0 Pd Pd23 1 0.81199361 0.00481343 0.90843517 1.0