# generated using pymatgen data_Er20Ir11Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.69687444 _cell_length_b 10.69687444 _cell_length_c 6.32047969 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er20Ir11Ru _chemical_formula_sum 'Er20 Ir11 Ru1' _cell_volume 723.20902362 _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 0.29257967 0.08665143 0.38122497 1.0 Er Er1 1 0.29327644 0.91284329 0.88441213 1.0 Er Er2 1 0.70672356 0.08715671 0.88441213 1.0 Er Er3 1 0.70742033 0.91334857 0.38122497 1.0 Er Er4 1 0.58715671 0.79327644 0.88441213 1.0 Er Er5 1 0.58665143 0.20742033 0.38122497 1.0 Er Er6 1 0.41334857 0.79257967 0.38122497 1.0 Er Er7 1 0.41284329 0.20672356 0.88441213 1.0 Er Er8 1 0.20871660 0.41143760 0.61790868 1.0 Er Er9 1 0.20883710 0.58764729 0.11736369 1.0 Er Er10 1 0.79116290 0.41235271 0.11736369 1.0 Er Er11 1 0.79128340 0.58856240 0.61790868 1.0 Er Er12 1 0.91235271 0.70883710 0.11736369 1.0 Er Er13 1 0.91143760 0.29128340 0.61790868 1.0 Er Er14 1 0.08856240 0.70871660 0.61790868 1.0 Er Er15 1 0.08764729 0.29116290 0.11736369 1.0 Er Er16 1 0.00000000 0.00000000 0.49797518 1.0 Er Er17 1 0.00000000 0.00000000 0.99802170 1.0 Er Er18 1 0.50000000 0.50000000 0.99802170 1.0 Er Er19 1 0.50000000 0.50000000 0.49797518 1.0 Ir Ir20 1 0.84703390 0.15398065 0.24933018 1.0 Ir Ir21 1 0.84705100 0.84676951 0.74929768 1.0 Ir Ir22 1 0.15294900 0.15323049 0.74929768 1.0 Ir Ir23 1 0.15296610 0.84601935 0.24933018 1.0 Ir Ir24 1 0.65323049 0.34705100 0.74929768 1.0 Ir Ir25 1 0.65398065 0.65296610 0.24933018 1.0 Ir Ir26 1 0.34601935 0.34703390 0.24933018 1.0 Ir Ir27 1 0.34676951 0.65294900 0.74929768 1.0 Ir Ir28 1 0.50000000 0.00000000 0.63185458 1.0 Ir Ir29 1 0.00000000 0.50000000 0.87181056 1.0 Ir Ir30 1 0.00000000 0.50000000 0.37228750 1.0 Ru Ru31 1 0.50000000 0.00000000 0.13390329 1.0