# generated using pymatgen data_Pr20Ir7Ru3Au2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.35974218 _cell_length_b 11.33855740 _cell_length_c 6.65950000 _cell_angle_alpha 90.05815176 _cell_angle_beta 90.16767825 _cell_angle_gamma 90.04413594 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr20Ir7Ru3Au2 _chemical_formula_sum 'Pr20 Ir7 Ru3 Au2' _cell_volume 857.75979815 _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 Pr Pr0 1 0.29427996 0.08951593 0.38161314 1.0 Pr Pr1 1 0.29424684 0.91130265 0.88167106 1.0 Pr Pr2 1 0.69440565 0.09221624 0.86536330 1.0 Pr Pr3 1 0.69414468 0.90710922 0.36496841 1.0 Pr Pr4 1 0.57894280 0.79192154 0.88395409 1.0 Pr Pr5 1 0.57955728 0.20834578 0.38429619 1.0 Pr Pr6 1 0.40476898 0.79438448 0.38320380 1.0 Pr Pr7 1 0.40604379 0.20563197 0.88392371 1.0 Pr Pr8 1 0.21000906 0.40825146 0.61675651 1.0 Pr Pr9 1 0.20878127 0.59178787 0.11415750 1.0 Pr Pr10 1 0.79308503 0.41751158 0.11619337 1.0 Pr Pr11 1 0.79306898 0.58191074 0.61903500 1.0 Pr Pr12 1 0.91484510 0.70363242 0.13239426 1.0 Pr Pr13 1 0.91546360 0.29610926 0.63714999 1.0 Pr Pr14 1 0.09818449 0.70193774 0.62148452 1.0 Pr Pr15 1 0.09844918 0.29816297 0.11991911 1.0 Pr Pr16 1 0.00749607 0.99876832 0.49935640 1.0 Pr Pr17 1 0.00728290 0.00122021 0.99924719 1.0 Pr Pr18 1 0.49982214 0.49764343 0.99758993 1.0 Pr Pr19 1 0.50013035 0.50284433 0.49741717 1.0 Ir Ir20 1 0.15253879 0.15263850 0.75108826 1.0 Ir Ir21 1 0.15185031 0.84748094 0.25077245 1.0 Ir Ir22 1 0.65650244 0.34969527 0.74572270 1.0 Ir Ir23 1 0.65667653 0.64990962 0.24531259 1.0 Ir Ir24 1 0.34880702 0.34652701 0.25168353 1.0 Ir Ir25 1 0.34829988 0.65388860 0.75105715 1.0 Ir Ir26 1 0.00106153 0.49856023 0.38543184 1.0 Ru Ru27 1 0.50096151 0.99931350 0.11674194 1.0 Ru Ru28 1 0.50091615 0.00066317 0.61644580 1.0 Ru Ru29 1 0.00071854 0.50085958 0.88755186 1.0 Au Au30 1 0.84477729 0.15452304 0.24981208 1.0 Au Au31 1 0.84388183 0.84573040 0.74868516 1.0