# generated using pymatgen data_Tb3Si5PPd20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.64791106 _cell_length_b 8.64791095 _cell_length_c 8.63659533 _cell_angle_alpha 60.04327477 _cell_angle_beta 60.04327520 _cell_angle_gamma 59.91344892 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Si5PPd20 _chemical_formula_sum 'Tb3 Si5 P1 Pd20' _cell_volume 456.71839938 _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 Tb Tb0 1 0.24867869 0.24867869 0.25132131 1.0 Tb Tb1 1 0.74867869 0.74867869 0.75132131 1.0 Tb Tb2 1 0.00097959 0.00097959 0.99902041 1.0 Si Si3 1 0.73307166 0.26538086 0.26692834 1.0 Si Si4 1 0.26538086 0.73307166 0.73461914 1.0 Si Si5 1 0.26538086 0.73307166 0.26692834 1.0 Si Si6 1 0.73307166 0.26538086 0.73461914 1.0 Si Si7 1 0.26670839 0.26670839 0.73329161 1.0 P P8 1 0.73584798 0.73584798 0.26415202 1.0 Pd Pd9 1 0.38362669 0.38362669 0.38384800 1.0 Pd Pd10 1 0.61601251 0.61601251 0.61445980 1.0 Pd Pd11 1 0.38362669 0.38362669 0.84889861 1.0 Pd Pd12 1 0.38554020 0.84648582 0.38398749 1.0 Pd Pd13 1 0.61601251 0.61601251 0.15351418 1.0 Pd Pd14 1 0.61615200 0.15110139 0.61637331 1.0 Pd Pd15 1 0.84648582 0.38554020 0.38398749 1.0 Pd Pd16 1 0.15110139 0.61615200 0.61637331 1.0 Pd Pd17 1 0.34590008 0.99976102 0.00023898 1.0 Pd Pd18 1 0.65390601 0.99894670 0.00105330 1.0 Pd Pd19 1 0.99976102 0.34590008 0.65409992 1.0 Pd Pd20 1 0.99894670 0.65390601 0.34609399 1.0 Pd Pd21 1 0.99976102 0.34590008 0.00023898 1.0 Pd Pd22 1 0.65390601 0.99894670 0.34609399 1.0 Pd Pd23 1 0.99894670 0.65390601 0.00105330 1.0 Pd Pd24 1 0.34590008 0.99976102 0.65409992 1.0 Pd Pd25 1 0.00165380 0.00165380 0.34478787 1.0 Pd Pd26 1 0.00165380 0.00165380 0.65190453 1.0 Pd Pd27 1 0.65521213 0.34809547 0.99834620 1.0 Pd Pd28 1 0.34809547 0.65521213 0.99834620 1.0