# generated using pymatgen data_Pr5Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61306517 _cell_length_b 11.31778055 _cell_length_c 11.31774107 _cell_angle_alpha 89.99718931 _cell_angle_beta 90.00494152 _cell_angle_gamma 89.99831649 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr5Ir3 _chemical_formula_sum 'Pr20 Ir12' _cell_volume 847.07882003 _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 0.38914831 0.84136269 0.54295977 1.0 Pr Pr1 1 0.88914212 0.65869458 0.54295018 1.0 Pr Pr2 1 0.88909848 0.84134027 0.95710938 1.0 Pr Pr3 1 0.38910466 0.65872776 0.95710414 1.0 Pr Pr4 1 0.88915546 0.54276798 0.84114945 1.0 Pr Pr5 1 0.38916446 0.95718277 0.84117617 1.0 Pr Pr6 1 0.38915544 0.54279788 0.65867315 1.0 Pr Pr7 1 0.88914436 0.95718004 0.65866427 1.0 Pr Pr8 1 0.61083735 0.15870917 0.45721116 1.0 Pr Pr9 1 0.11083364 0.34122967 0.45719990 1.0 Pr Pr10 1 0.11086811 0.15872656 0.04273114 1.0 Pr Pr11 1 0.61087924 0.34120982 0.04271691 1.0 Pr Pr12 1 0.11088930 0.45713581 0.15878609 1.0 Pr Pr13 1 0.61088416 0.04289864 0.15875333 1.0 Pr Pr14 1 0.61090080 0.45712117 0.34139943 1.0 Pr Pr15 1 0.11089295 0.04291796 0.34141778 1.0 Pr Pr16 1 0.49999815 0.75005961 0.25012057 1.0 Pr Pr17 1 -0.00008370 0.75003779 0.25013094 1.0 Pr Pr18 1 -0.00013952 0.24996221 0.74986325 1.0 Pr Pr19 1 0.50004494 0.24994125 0.74987783 1.0 Ir Ir20 1 0.24999676 0.90350610 0.09651875 1.0 Ir Ir21 1 0.74999481 0.59655365 0.09654715 1.0 Ir Ir22 1 0.74999323 0.90353606 0.40364118 1.0 Ir Ir23 1 0.25001033 0.59650924 0.40361362 1.0 Ir Ir24 1 0.75002082 0.09655066 0.90331398 1.0 Ir Ir25 1 0.25003023 0.40341989 0.90330981 1.0 Ir Ir26 1 0.25001686 0.09647386 0.59651022 1.0 Ir Ir27 1 0.75000975 0.40344156 0.59655259 1.0 Ir Ir28 1 0.12540606 0.75003026 0.74993799 1.0 Ir Ir29 1 0.62539232 0.75002900 0.74993511 1.0 Ir Ir30 1 0.87461147 0.24997905 0.25006379 1.0 Ir Ir31 1 0.37459565 0.24996905 0.25005900 1.0