# generated using pymatgen data_Pr4LuIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.21097403 _cell_length_b 11.21097403 _cell_length_c 6.47578130 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr4LuIr3 _chemical_formula_sum 'Pr16 Lu4 Ir12' _cell_volume 813.91465118 _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 0.28763288 0.08676144 0.38268865 1.0 Pr Pr1 1 0.28763288 0.91323856 0.88268865 1.0 Pr Pr2 1 0.71236712 0.08676144 0.88268865 1.0 Pr Pr3 1 0.71236712 0.91323856 0.38268865 1.0 Pr Pr4 1 0.58676144 0.78763288 0.88268865 1.0 Pr Pr5 1 0.58676144 0.21236712 0.38268865 1.0 Pr Pr6 1 0.41323856 0.78763288 0.38268865 1.0 Pr Pr7 1 0.41323856 0.21236712 0.88268865 1.0 Pr Pr8 1 0.21236712 0.41323856 0.61731135 1.0 Pr Pr9 1 0.21236712 0.58676144 0.11731135 1.0 Pr Pr10 1 0.78763288 0.41323856 0.11731135 1.0 Pr Pr11 1 0.78763288 0.58676144 0.61731135 1.0 Pr Pr12 1 0.91323856 0.71236712 0.11731135 1.0 Pr Pr13 1 0.91323856 0.28763288 0.61731135 1.0 Pr Pr14 1 0.08676144 0.71236712 0.61731135 1.0 Pr Pr15 1 0.08676144 0.28763288 0.11731135 1.0 Lu Lu16 1 0.00000000 0.00000000 0.50000000 1.0 Lu Lu17 1 0.00000000 0.00000000 0.00000000 1.0 Lu Lu18 1 0.50000000 0.50000000 0.00000000 1.0 Lu Lu19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.85502567 0.14497433 0.25000000 1.0 Ir Ir21 1 0.85502567 0.85502567 0.75000000 1.0 Ir Ir22 1 0.14497433 0.14497433 0.75000000 1.0 Ir Ir23 1 0.14497433 0.85502567 0.25000000 1.0 Ir Ir24 1 0.64497433 0.35502567 0.75000000 1.0 Ir Ir25 1 0.64497433 0.64497433 0.25000000 1.0 Ir Ir26 1 0.35502567 0.35502567 0.25000000 1.0 Ir Ir27 1 0.35502567 0.64497433 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.11712115 1.0 Ir Ir29 1 0.50000000 0.00000000 0.61712115 1.0 Ir Ir30 1 0.00000000 0.50000000 0.88287885 1.0 Ir Ir31 1 0.00000000 0.50000000 0.38287885 1.0