# generated using pymatgen data_Er5P12Ir13Ru6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.52060683 _cell_length_b 12.51723917 _cell_length_c 3.94504413 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.70362514 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er5P12Ir13Ru6 _chemical_formula_sum 'Er5 P12 Ir13 Ru6' _cell_volume 537.03884682 _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 Er Er0 1 0.66812368 0.33371308 0.00000000 1.0 Er Er1 1 0.33279447 0.66512302 0.00000000 1.0 Er Er2 1 0.81817372 0.00178108 0.50000000 1.0 Er Er3 1 0.18164311 0.18300792 0.50000000 1.0 Er Er4 1 0.99958708 0.81744058 0.50000000 1.0 P P5 1 0.64546786 0.00497760 0.00000000 1.0 P P6 1 0.36305616 0.36266453 0.00000000 1.0 P P7 1 0.99942366 0.63686217 0.00000000 1.0 P P8 1 0.68837605 0.51956611 0.50000000 1.0 P P9 1 0.82982113 0.30823012 0.50000000 1.0 P P10 1 0.30921257 0.82904714 0.50000000 1.0 P P11 1 0.51919132 0.68611612 0.50000000 1.0 P P12 1 0.18161431 0.00110676 0.00000000 1.0 P P13 1 0.81964012 0.82031929 0.00000000 1.0 P P14 1 0.99728937 0.18077938 0.00000000 1.0 P P15 1 0.48087411 0.17086145 0.50000000 1.0 P P16 1 0.16748761 0.48043201 0.50000000 1.0 Ir Ir17 1 0.62591741 0.80866771 0.00000000 1.0 Ir Ir18 1 0.18202407 0.37442521 0.00000000 1.0 Ir Ir19 1 0.37716797 0.18229768 0.00000000 1.0 Ir Ir20 1 0.19333230 0.81798580 0.00000000 1.0 Ir Ir21 1 0.80566486 0.62443653 0.00000000 1.0 Ir Ir22 1 0.86740985 0.50536444 0.50000000 1.0 Ir Ir23 1 0.49310880 0.36345180 0.50000000 1.0 Ir Ir24 1 0.63678351 0.12936335 0.50000000 1.0 Ir Ir25 1 0.12968163 0.63824419 0.50000000 1.0 Ir Ir26 1 0.35964436 0.49240893 0.50000000 1.0 Ir Ir27 1 0.50343670 0.86333389 0.50000000 1.0 Ir Ir28 1 0.00040733 0.00012074 0.00000000 1.0 Ir Ir29 1 0.45819052 0.99575385 0.00000000 1.0 Ru Ru30 1 0.71358059 0.71377377 0.50000000 1.0 Ru Ru31 1 0.00159114 0.28834039 0.50000000 1.0 Ru Ru32 1 0.54337148 0.54712766 0.00000000 1.0 Ru Ru33 1 0.00147672 0.45504886 0.00000000 1.0 Ru Ru34 1 0.81951469 0.19762229 0.00000000 1.0 Ru Ru35 1 0.28591875 0.00020156 0.50000000 1.0