# generated using pymatgen data_Pr3Ga2IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73542626 _cell_length_b 8.06981732 _cell_length_c 13.88253436 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3Ga2IrRu _chemical_formula_sum 'Pr12 Ga8 Ir4 Ru4' _cell_volume 642.53702907 _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 0.14648758 0.89695955 0.59653195 1.0 Pr Pr1 1 0.85351242 0.10304045 0.09653195 1.0 Pr Pr2 1 0.14648758 0.60304045 0.40346805 1.0 Pr Pr3 1 0.85351242 0.39695955 0.90346805 1.0 Pr Pr4 1 0.84460230 0.09733384 0.40237096 1.0 Pr Pr5 1 0.15539770 0.90266616 0.90237096 1.0 Pr Pr6 1 0.84460230 0.40266616 0.59762904 1.0 Pr Pr7 1 0.15539770 0.59733384 0.09762904 1.0 Pr Pr8 1 0.37406375 0.25901841 0.74810971 1.0 Pr Pr9 1 0.62593625 0.74098159 0.24810971 1.0 Pr Pr10 1 0.37406375 0.24098159 0.25189029 1.0 Pr Pr11 1 0.62593625 0.75901841 0.75189029 1.0 Ga Ga12 1 0.86181833 0.10240224 0.75130291 1.0 Ga Ga13 1 0.13818167 0.89759776 0.25130291 1.0 Ga Ga14 1 0.86181833 0.39759776 0.24869709 1.0 Ga Ga15 1 0.13818167 0.60240224 0.74869709 1.0 Ga Ga16 1 0.37323704 0.25000000 0.50000000 1.0 Ga Ga17 1 0.62676296 0.75000000 0.00000000 1.0 Ga Ga18 1 0.61707173 0.75000000 0.50000000 1.0 Ga Ga19 1 0.38292827 0.25000000 0.00000000 1.0 Ir Ir20 1 0.64082846 0.03406421 0.59394245 1.0 Ir Ir21 1 0.35917154 0.96593579 0.09394245 1.0 Ir Ir22 1 0.64082846 0.46593579 0.40605755 1.0 Ir Ir23 1 0.35917154 0.53406421 0.90605755 1.0 Ru Ru24 1 0.35378616 0.97134371 0.41050599 1.0 Ru Ru25 1 0.64621384 0.02865629 0.91050599 1.0 Ru Ru26 1 0.35378616 0.52865629 0.58949401 1.0 Ru Ru27 1 0.64621384 0.47134371 0.08949401 1.0