# generated using pymatgen data_Pr4YIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.24242675 _cell_length_b 11.24242675 _cell_length_c 6.55363953 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr4YIr3 _chemical_formula_sum 'Pr16 Y4 Ir12' _cell_volume 828.32865131 _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 Pr Pr0 1 0.28934070 0.08779519 0.38683512 1.0 Pr Pr1 1 0.28934070 0.91220481 0.88683512 1.0 Pr Pr2 1 0.71065930 0.08779519 0.88683512 1.0 Pr Pr3 1 0.71065930 0.91220481 0.38683512 1.0 Pr Pr4 1 0.58779519 0.78934070 0.88683512 1.0 Pr Pr5 1 0.58779519 0.21065930 0.38683512 1.0 Pr Pr6 1 0.41220481 0.78934070 0.38683512 1.0 Pr Pr7 1 0.41220481 0.21065930 0.88683512 1.0 Pr Pr8 1 0.21065930 0.41220481 0.61316488 1.0 Pr Pr9 1 0.21065930 0.58779519 0.11316488 1.0 Pr Pr10 1 0.78934070 0.41220481 0.11316488 1.0 Pr Pr11 1 0.78934070 0.58779519 0.61316488 1.0 Pr Pr12 1 0.91220481 0.71065930 0.11316488 1.0 Pr Pr13 1 0.91220481 0.28934070 0.61316488 1.0 Pr Pr14 1 0.08779519 0.71065930 0.61316488 1.0 Pr Pr15 1 0.08779519 0.28934070 0.11316488 1.0 Y Y16 1 0.00000000 0.00000000 0.50000000 1.0 Y Y17 1 0.00000000 0.00000000 0.00000000 1.0 Y Y18 1 0.50000000 0.50000000 0.00000000 1.0 Y Y19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.85102449 0.14897551 0.25000000 1.0 Ir Ir21 1 0.85102449 0.85102449 0.75000000 1.0 Ir Ir22 1 0.14897551 0.14897551 0.75000000 1.0 Ir Ir23 1 0.14897551 0.85102449 0.25000000 1.0 Ir Ir24 1 0.64897551 0.35102449 0.75000000 1.0 Ir Ir25 1 0.64897551 0.64897551 0.25000000 1.0 Ir Ir26 1 0.35102449 0.35102449 0.25000000 1.0 Ir Ir27 1 0.35102449 0.64897551 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12199204 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62199204 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87800796 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37800796 1.0