# generated using pymatgen data_Dy3Pa(Al3Ir)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52213544 _cell_length_b 7.52535828 _cell_length_c 9.36314569 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.53318214 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy3Pa(Al3Ir)6 _chemical_formula_sum 'Dy3 Pa1 Al18 Ir6' _cell_volume 461.15241828 _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 Dy Dy0 1 0.00463778 0.32874513 0.25000000 1.0 Dy Dy1 1 0.67237975 0.99374903 0.75000000 1.0 Dy Dy2 1 0.32891284 0.00506054 0.25000000 1.0 Pa Pa3 1 0.99630616 0.67211047 0.75000000 1.0 Al Al4 1 0.13370091 0.13207456 0.75000000 1.0 Al Al5 1 0.87102275 0.87295557 0.25000000 1.0 Al Al6 1 0.00143963 0.33219279 0.57358648 1.0 Al Al7 1 0.99823238 0.66451360 0.42218847 1.0 Al Al8 1 0.99823238 0.66451360 0.07781153 1.0 Al Al9 1 0.33932493 0.00487678 0.92623327 1.0 Al Al10 1 0.00143963 0.33219279 0.92641352 1.0 Al Al11 1 0.66473452 0.99929136 0.07384417 1.0 Al Al12 1 0.66473452 0.99929136 0.42615583 1.0 Al Al13 1 0.33932493 0.00487678 0.57376673 1.0 Al Al14 1 0.33265737 0.33289391 0.05264054 1.0 Al Al15 1 0.66303761 0.66531650 0.95137099 1.0 Al Al16 1 0.66303761 0.66531650 0.54862901 1.0 Al Al17 1 0.33265737 0.33289391 0.44735946 1.0 Al Al18 1 0.33929292 0.54610669 0.75000000 1.0 Al Al19 1 0.65871131 0.45013693 0.25000000 1.0 Al Al20 1 0.54722502 0.34217950 0.75000000 1.0 Al Al21 1 0.45065071 0.66108267 0.25000000 1.0 Ir Ir22 1 0.67425378 0.33001847 0.50208501 1.0 Ir Ir23 1 0.32542331 0.67207846 0.50241326 1.0 Ir Ir24 1 0.32542331 0.67207846 0.99758674 1.0 Ir Ir25 1 0.67425378 0.33001847 0.99791499 1.0 Ir Ir26 1 0.99947389 0.99671709 0.50312106 1.0 Ir Ir27 1 0.99947389 0.99671709 0.99687894 1.0