# generated using pymatgen data_Tb5Si12Ir17Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97937521 _cell_length_b 12.73494361 _cell_length_c 12.77933392 _cell_angle_alpha 120.10201935 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Si12Ir17Ru2 _chemical_formula_sum 'Tb5 Si12 Ir17 Ru2' _cell_volume 560.27776418 _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 0.50000000 0.99930701 0.18635282 1.0 Tb Tb1 1 0.50000000 0.18661555 0.00131405 1.0 Tb Tb2 1 0.50000000 0.81458189 0.81431092 1.0 Tb Tb3 1 0.00000000 0.33279552 0.66744301 1.0 Tb Tb4 1 0.00000000 0.66800662 0.33239456 1.0 Si Si5 1 0.00000000 0.00011813 0.81830628 1.0 Si Si6 1 0.00000000 0.81768298 0.99922838 1.0 Si Si7 1 0.00000000 0.18222190 0.18364361 1.0 Si Si8 1 0.50000000 0.31007167 0.47998539 1.0 Si Si9 1 0.50000000 0.16830194 0.68989237 1.0 Si Si10 1 0.50000000 0.51999559 0.83053863 1.0 Si Si11 1 0.50000000 0.83280785 0.51902792 1.0 Si Si12 1 0.50000000 0.47980385 0.30832040 1.0 Si Si13 1 0.50000000 0.68894843 0.16801815 1.0 Si Si14 1 0.00000000 0.99608493 0.36993745 1.0 Si Si15 1 0.00000000 0.37362288 0.00403191 1.0 Si Si16 1 0.00000000 0.63031486 0.62921394 1.0 Ir Ir17 1 0.00000000 0.00153239 0.55637063 1.0 Ir Ir18 1 0.00000000 0.55406758 0.99704256 1.0 Ir Ir19 1 0.00000000 0.44505503 0.44626094 1.0 Ir Ir20 1 0.50000000 0.99983036 0.71876142 1.0 Ir Ir21 1 0.50000000 0.71769560 0.99793063 1.0 Ir Ir22 1 0.50000000 0.28194748 0.28364199 1.0 Ir Ir23 1 0.00000000 0.19246946 0.37801456 1.0 Ir Ir24 1 0.00000000 0.18454597 0.80851336 1.0 Ir Ir25 1 0.00000000 0.62266500 0.81495135 1.0 Ir Ir26 1 0.00000000 0.81654461 0.62244698 1.0 Ir Ir27 1 0.00000000 0.37734782 0.19561366 1.0 Ir Ir28 1 0.00000000 0.80497954 0.18125367 1.0 Ir Ir29 1 0.50000000 0.12572231 0.48959763 1.0 Ir Ir30 1 0.50000000 0.36270956 0.87405374 1.0 Ir Ir31 1 0.50000000 0.51107902 0.63695315 1.0 Ir Ir32 1 0.50000000 0.63734358 0.51087870 1.0 Ir Ir33 1 0.00000000 0.00055964 0.00042741 1.0 Ru Ru34 1 0.50000000 0.48695509 0.12348768 1.0 Ru Ru35 1 0.50000000 0.87557136 0.36184314 1.0