# generated using pymatgen data_La3Sn13Ru4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.83649007 _cell_length_b 9.83648605 _cell_length_c 9.83655584 _cell_angle_alpha 90.00005825 _cell_angle_beta 90.00004299 _cell_angle_gamma 90.00001468 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3Sn13Ru4 _chemical_formula_sum 'La6 Sn26 Ru8' _cell_volume 951.75068911 _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 La La0 1 0.50000778 0.25000072 -0.00000464 1.0 La La1 1 0.74999986 0.00000151 0.50000717 1.0 La La2 1 -0.00000660 0.50000169 0.75000144 1.0 La La3 1 0.50000606 0.75000038 0.99999215 1.0 La La4 1 0.24999947 -0.00000008 0.50000705 1.0 La La5 1 -0.00000716 0.49999791 0.24999846 1.0 Sn Sn6 1 0.49999277 0.20133257 0.65437151 1.0 Sn Sn7 1 0.79864644 0.34564095 0.49998941 1.0 Sn Sn8 1 0.65436449 0.50000213 0.79867902 1.0 Sn Sn9 1 0.50000054 0.79866158 0.34564016 1.0 Sn Sn10 1 0.20132060 0.65436677 0.49999427 1.0 Sn Sn11 1 0.34563247 0.49999399 0.20134061 1.0 Sn Sn12 1 0.79866302 0.65436044 0.49999271 1.0 Sn Sn13 1 0.65436601 0.49999623 0.20132651 1.0 Sn Sn14 1 0.20133348 0.34562697 0.49999337 1.0 Sn Sn15 1 0.34563303 0.49999759 0.79865606 1.0 Sn Sn16 1 0.50000205 0.79865020 0.65436168 1.0 Sn Sn17 1 0.49999539 0.20132828 0.34563321 1.0 Sn Sn18 1 0.00000809 0.15437261 0.70133894 1.0 Sn Sn19 1 0.29866921 0.00000474 0.84562782 1.0 Sn Sn20 1 0.15436791 0.29865871 0.00000681 1.0 Sn Sn21 1 -0.00000042 0.84563646 0.29866858 1.0 Sn Sn22 1 0.70134236 0.00000239 0.15436200 1.0 Sn Sn23 1 0.84563733 0.70133147 0.00000745 1.0 Sn Sn24 1 0.29867291 0.00000563 0.15436860 1.0 Sn Sn25 1 0.15436133 0.70135042 0.00000514 1.0 Sn Sn26 1 0.70135298 -0.00000263 0.84563929 1.0 Sn Sn27 1 0.84563397 0.29867978 0.00001224 1.0 Sn Sn28 1 0.00000451 0.15436155 0.29865027 1.0 Sn Sn29 1 -0.00000005 0.84563688 0.70133329 1.0 Sn Sn30 1 0.50000675 0.50000318 0.49999843 1.0 Sn Sn31 1 -0.00000642 -0.00000227 0.00000259 1.0 Ru Ru32 1 0.74999389 0.24998444 0.74998894 1.0 Ru Ru33 1 0.24999556 0.74998814 0.24999266 1.0 Ru Ru34 1 0.75000602 0.74999698 0.25000114 1.0 Ru Ru35 1 0.25000584 0.24999497 0.74999927 1.0 Ru Ru36 1 0.25001449 0.75000491 0.75000913 1.0 Ru Ru37 1 0.75001021 0.25000670 0.25000496 1.0 Ru Ru38 1 0.24998620 0.25001491 0.24999915 1.0 Ru Ru39 1 0.74998766 0.75001019 0.75000116 1.0