# generated using pymatgen data_PrEr2(SiIr2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55310184 _cell_length_b 5.55310876 _cell_length_c 15.10097527 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99996649 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrEr2(SiIr2)3 _chemical_formula_sum 'Pr2 Er4 Si6 Ir12' _cell_volume 403.28084295 _cell_formula_units_Z 2 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 0.33333591 0.66666579 0.75000000 1.0 Pr Pr1 1 0.66666409 0.33333421 0.25000000 1.0 Er Er2 1 0.33333387 0.66666941 0.53723848 1.0 Er Er3 1 0.66666613 0.33333059 0.46276152 1.0 Er Er4 1 0.66666613 0.33333059 0.03723848 1.0 Er Er5 1 0.33333387 0.66666941 0.96276152 1.0 Si Si6 1 0.00000149 0.00000100 0.25000000 1.0 Si Si7 1 0.99999851 0.99999900 0.75000000 1.0 Si Si8 1 0.33333077 0.66666521 0.25000000 1.0 Si Si9 1 0.66666923 0.33333479 0.75000000 1.0 Si Si10 1 0.00000000 0.00000000 0.00000000 1.0 Si Si11 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir12 1 0.16734878 0.33469680 0.12874353 1.0 Ir Ir13 1 0.83265122 0.66530320 0.87125647 1.0 Ir Ir14 1 0.66530426 0.83265326 0.12874412 1.0 Ir Ir15 1 0.83265122 0.66530320 0.62874353 1.0 Ir Ir16 1 0.33469574 0.16734674 0.87125588 1.0 Ir Ir17 1 0.16734878 0.33469680 0.37125647 1.0 Ir Ir18 1 0.16734997 0.83265423 0.12874371 1.0 Ir Ir19 1 0.33469574 0.16734674 0.62874412 1.0 Ir Ir20 1 0.83265003 0.16734577 0.87125629 1.0 Ir Ir21 1 0.66530426 0.83265326 0.37125588 1.0 Ir Ir22 1 0.83265003 0.16734577 0.62874371 1.0 Ir Ir23 1 0.16734997 0.83265423 0.37125629 1.0