# generated using pymatgen data_Pr3Sn13Ir4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.79014164 _cell_length_b 9.79008756 _cell_length_c 9.79013615 _cell_angle_alpha 90.00001668 _cell_angle_beta 90.00016469 _cell_angle_gamma 89.99992766 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3Sn13Ir4 _chemical_formula_sum 'Pr6 Sn26 Ir8' _cell_volume 938.34875607 _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 0.50000065 -0.00000124 0.75000162 1.0 Pr Pr1 1 0.00000022 0.24999913 0.49999857 1.0 Pr Pr2 1 0.75000057 0.50000102 0.00000035 1.0 Pr Pr3 1 0.49999847 -0.00000058 0.24999838 1.0 Pr Pr4 1 0.00000126 0.75000093 0.49999907 1.0 Pr Pr5 1 0.24999962 0.50000175 0.00000259 1.0 Sn Sn6 1 0.50000110 0.49997901 0.50001334 1.0 Sn Sn7 1 0.99999892 0.00002121 0.99998682 1.0 Sn Sn8 1 0.65247066 0.19404330 0.49999879 1.0 Sn Sn9 1 0.80596783 0.50000282 0.65247856 1.0 Sn Sn10 1 0.50000200 0.34752226 0.80596536 1.0 Sn Sn11 1 0.34752162 0.80597131 0.49999766 1.0 Sn Sn12 1 0.19403797 0.50000214 0.34753070 1.0 Sn Sn13 1 0.49999829 0.65247181 0.19403388 1.0 Sn Sn14 1 0.65247922 0.80597153 0.49999930 1.0 Sn Sn15 1 0.80596125 0.50000196 0.34753149 1.0 Sn Sn16 1 0.34752980 0.19404410 0.49999663 1.0 Sn Sn17 1 0.19403240 0.50000363 0.65247884 1.0 Sn Sn18 1 0.50000071 0.65246252 0.80595624 1.0 Sn Sn19 1 0.49999874 0.34751659 0.19402622 1.0 Sn Sn20 1 0.15247443 -0.00000398 0.69403773 1.0 Sn Sn21 1 0.30597041 0.15248291 0.00000340 1.0 Sn Sn22 1 -0.00000116 0.30595940 0.84752389 1.0 Sn Sn23 1 0.84752012 -0.00000259 0.30596981 1.0 Sn Sn24 1 0.69403597 0.84752897 0.00000084 1.0 Sn Sn25 1 0.00000121 0.69402931 0.15247752 1.0 Sn Sn26 1 0.15247945 -0.00000275 0.30596967 1.0 Sn Sn27 1 0.30596276 0.84753062 0.00000188 1.0 Sn Sn28 1 0.84752550 -0.00000289 0.69403715 1.0 Sn Sn29 1 0.69402940 0.15248261 0.00000023 1.0 Sn Sn30 1 0.00000116 0.30595591 0.15246895 1.0 Sn Sn31 1 -0.00000023 0.69402568 0.84751548 1.0 Ir Ir32 1 0.74999783 0.25000321 0.75000446 1.0 Ir Ir33 1 0.24999947 0.75000236 0.25000369 1.0 Ir Ir34 1 0.75000183 0.75000238 0.25000481 1.0 Ir Ir35 1 0.25000169 0.25000378 0.75000419 1.0 Ir Ir36 1 0.24999285 0.74999697 0.74999522 1.0 Ir Ir37 1 0.74999292 0.24999710 0.24999651 1.0 Ir Ir38 1 0.25000791 0.24999744 0.24999523 1.0 Ir Ir39 1 0.75000619 0.74999734 0.74999595 1.0