# generated using pymatgen data_PrSc2Ir9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90643528 _cell_length_b 8.90643528 _cell_length_c 5.11130086 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrSc2Ir9 _chemical_formula_sum 'Pr2 Sc4 Ir18' _cell_volume 405.45184195 _cell_formula_units_Z 2 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 0.50000000 0.50000000 0.00000000 1.0 Pr Pr1 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc2 1 0.11922306 0.61922306 0.00000000 1.0 Sc Sc3 1 0.88077694 0.38077694 0.00000000 1.0 Sc Sc4 1 0.38077694 0.11922306 0.00000000 1.0 Sc Sc5 1 0.61922306 0.88077694 0.00000000 1.0 Ir Ir6 1 0.31882349 0.81882349 0.75782657 1.0 Ir Ir7 1 0.68117651 0.18117651 0.75782657 1.0 Ir Ir8 1 0.18117651 0.31882349 0.75782657 1.0 Ir Ir9 1 0.81882349 0.68117651 0.75782657 1.0 Ir Ir10 1 0.68117651 0.18117651 0.24217343 1.0 Ir Ir11 1 0.31882349 0.81882349 0.24217343 1.0 Ir Ir12 1 0.81882349 0.68117651 0.24217343 1.0 Ir Ir13 1 0.18117651 0.31882349 0.24217343 1.0 Ir Ir14 1 0.55599282 0.70605620 0.50000000 1.0 Ir Ir15 1 0.44400718 0.29394380 0.50000000 1.0 Ir Ir16 1 0.94400718 0.20605620 0.50000000 1.0 Ir Ir17 1 0.05599282 0.79394380 0.50000000 1.0 Ir Ir18 1 0.70605620 0.44400718 0.50000000 1.0 Ir Ir19 1 0.29394380 0.55599282 0.50000000 1.0 Ir Ir20 1 0.20605620 0.05599282 0.50000000 1.0 Ir Ir21 1 0.79394380 0.94400718 0.50000000 1.0 Ir Ir22 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir23 1 0.50000000 0.00000000 0.50000000 1.0