# generated using pymatgen data_Er4ScIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.63122273 _cell_length_b 10.63122273 _cell_length_c 6.20220554 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er4ScIr3 _chemical_formula_sum 'Er16 Sc4 Ir12' _cell_volume 700.99123557 _cell_formula_units_Z 4 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 0.28797441 0.08576946 0.37842801 1.0 Er Er1 1 0.28797441 0.91423054 0.87842801 1.0 Er Er2 1 0.71202559 0.08576946 0.87842801 1.0 Er Er3 1 0.71202559 0.91423054 0.37842801 1.0 Er Er4 1 0.58576946 0.78797441 0.87842801 1.0 Er Er5 1 0.58576946 0.21202559 0.37842801 1.0 Er Er6 1 0.41423054 0.78797441 0.37842801 1.0 Er Er7 1 0.41423054 0.21202559 0.87842801 1.0 Er Er8 1 0.21202559 0.41423054 0.62157199 1.0 Er Er9 1 0.21202559 0.58576946 0.12157199 1.0 Er Er10 1 0.78797441 0.41423054 0.12157199 1.0 Er Er11 1 0.78797441 0.58576946 0.62157199 1.0 Er Er12 1 0.91423054 0.71202559 0.12157199 1.0 Er Er13 1 0.91423054 0.28797441 0.62157199 1.0 Er Er14 1 0.08576946 0.71202559 0.62157199 1.0 Er Er15 1 0.08576946 0.28797441 0.12157199 1.0 Sc Sc16 1 0.00000000 0.00000000 0.50000000 1.0 Sc Sc17 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc18 1 0.50000000 0.50000000 0.00000000 1.0 Sc Sc19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.85074606 0.14925394 0.25000000 1.0 Ir Ir21 1 0.85074606 0.85074606 0.75000000 1.0 Ir Ir22 1 0.14925394 0.14925394 0.75000000 1.0 Ir Ir23 1 0.14925394 0.85074606 0.25000000 1.0 Ir Ir24 1 0.64925394 0.35074606 0.75000000 1.0 Ir Ir25 1 0.64925394 0.64925394 0.25000000 1.0 Ir Ir26 1 0.35074606 0.35074606 0.25000000 1.0 Ir Ir27 1 0.35074606 0.64925394 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12520564 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62520564 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87479436 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37479436 1.0