# generated using pymatgen data_Pr2Lu(CdIr6)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90393197 _cell_length_b 8.90393197 _cell_length_c 5.13891228 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.81021854 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2Lu(CdIr6)3 _chemical_formula_sum 'Pr2 Lu1 Cd3 Ir18' _cell_volume 407.41075416 _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 0.50563923 0.49905897 0.00000000 1.0 Pr Pr1 1 0.99905897 0.00563923 0.00000000 1.0 Lu Lu2 1 0.11575827 0.61575827 0.00000000 1.0 Cd Cd3 1 0.87997082 0.37997082 0.00000000 1.0 Cd Cd4 1 0.38310641 0.11711883 0.00000000 1.0 Cd Cd5 1 0.61711883 0.88310641 0.00000000 1.0 Ir Ir6 1 0.31913870 0.81913870 0.75960800 1.0 Ir Ir7 1 0.68149398 0.18149398 0.75949064 1.0 Ir Ir8 1 0.18212984 0.31814573 0.75922094 1.0 Ir Ir9 1 0.81814573 0.68212984 0.75922094 1.0 Ir Ir10 1 0.68149398 0.18149398 0.24050936 1.0 Ir Ir11 1 0.31913870 0.81913870 0.24039200 1.0 Ir Ir12 1 0.81814573 0.68212984 0.24077906 1.0 Ir Ir13 1 0.18212984 0.31814573 0.24077906 1.0 Ir Ir14 1 0.55498173 0.70423094 0.50000000 1.0 Ir Ir15 1 0.44308971 0.29631461 0.50000000 1.0 Ir Ir16 1 0.94386005 0.20389071 0.50000000 1.0 Ir Ir17 1 0.05790417 0.79395467 0.50000000 1.0 Ir Ir18 1 0.70389071 0.44386005 0.50000000 1.0 Ir Ir19 1 0.29395467 0.55790417 0.50000000 1.0 Ir Ir20 1 0.20423094 0.05498173 0.50000000 1.0 Ir Ir21 1 0.79631461 0.94308971 0.50000000 1.0 Ir Ir22 1 0.99809664 0.49809664 0.50000000 1.0 Ir Ir23 1 0.50120973 0.00120973 0.50000000 1.0