# generated using pymatgen data_Lu2Fe3Si5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.21606630 _cell_length_b 10.21607047 _cell_length_c 5.36958049 _cell_angle_alpha 89.99999103 _cell_angle_beta 90.00000542 _cell_angle_gamma 90.00013241 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2Fe3Si5 _chemical_formula_sum 'Lu8 Fe12 Si20' _cell_volume 560.41266249 _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 Lu Lu0 1 0.43116926 0.26234268 -0.00000165 1.0 Lu Lu1 1 0.26234055 0.56884238 -0.00000084 1.0 Lu Lu2 1 0.73765907 0.43115989 -0.00000021 1.0 Lu Lu3 1 0.56883251 0.73765670 -0.00000182 1.0 Lu Lu4 1 0.06884554 0.76233506 0.49999993 1.0 Lu Lu5 1 0.93115291 0.23766553 0.49999965 1.0 Lu Lu6 1 0.76233599 0.93116045 0.50000125 1.0 Lu Lu7 1 0.23766433 0.06883756 0.50000198 1.0 Fe Fe8 1 0.12382219 0.14441879 -0.00000021 1.0 Fe Fe9 1 0.14441763 0.87618161 0.00000133 1.0 Fe Fe10 1 0.85558121 0.12381904 0.00000188 1.0 Fe Fe11 1 0.87618081 0.85557970 0.00000114 1.0 Fe Fe12 1 0.37618876 0.64441041 0.49999884 1.0 Fe Fe13 1 0.62381200 0.35559079 0.49999936 1.0 Fe Fe14 1 0.64440833 0.62381110 0.49999909 1.0 Fe Fe15 1 0.35559265 0.37618628 0.49999812 1.0 Fe Fe16 1 0.50000031 0.00000053 0.25001023 1.0 Fe Fe17 1 0.00000019 0.49999956 0.25001058 1.0 Fe Fe18 1 0.50000021 0.00000038 0.74998989 1.0 Fe Fe19 1 0.00000024 0.49999971 0.74998940 1.0 Si Si20 1 0.32013955 0.02245677 0.00000122 1.0 Si Si21 1 0.02244839 0.67985911 -0.00000004 1.0 Si Si22 1 0.97754797 0.32013890 -0.00000046 1.0 Si Si23 1 0.67986090 0.97754412 0.00000109 1.0 Si Si24 1 0.17986963 0.52244548 0.49999977 1.0 Si Si25 1 0.82013164 0.47755568 0.50000012 1.0 Si Si26 1 0.52244701 0.82013188 0.49999875 1.0 Si Si27 1 0.47755041 0.17986936 0.49999894 1.0 Si Si28 1 0.67789041 0.17790098 0.24998928 1.0 Si Si29 1 0.17790582 0.32210703 0.24998752 1.0 Si Si30 1 0.82209319 0.67789424 0.24998945 1.0 Si Si31 1 0.32211047 0.82209783 0.24998249 1.0 Si Si32 1 0.32211024 0.82209771 0.75001733 1.0 Si Si33 1 0.82209312 0.67789448 0.75001043 1.0 Si Si34 1 0.17790616 0.32210684 0.75001194 1.0 Si Si35 1 0.67789079 0.17790111 0.75001100 1.0 Si Si36 1 0.00000041 0.00000066 0.23805043 1.0 Si Si37 1 0.49999951 0.49999954 0.26194889 1.0 Si Si38 1 0.00000020 0.00000066 0.76195437 1.0 Si Si39 1 0.49999949 0.49999946 0.73804654 1.0