# generated using pymatgen data_Sc3(FeSi3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07051700 _cell_length_b 9.55855565 _cell_length_c 14.42804900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 74.61911725 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3(FeSi3)2 _chemical_formula_sum 'Sc12 Fe8 Si24' _cell_volume 674.23613629 _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 Sc Sc0 1 0.53462700 0.93074700 0.82277800 1.0 Sc Sc1 1 0.46537300 0.06925300 0.17722200 1.0 Sc Sc2 1 0.96537300 0.06925300 0.32277800 1.0 Sc Sc3 1 0.03462700 0.93074700 0.67722200 1.0 Sc Sc4 1 0.78920100 0.42159800 0.81922600 1.0 Sc Sc5 1 0.21079900 0.57840200 0.18077400 1.0 Sc Sc6 1 0.71079900 0.57840200 0.31922600 1.0 Sc Sc7 1 0.28920100 0.42159800 0.68077400 1.0 Sc Sc8 1 0.87522800 0.24954400 0.59004800 1.0 Sc Sc9 1 0.12477200 0.75045600 0.40995200 1.0 Sc Sc10 1 0.62477200 0.75045600 0.09004800 1.0 Sc Sc11 1 0.37522800 0.24954400 0.90995200 1.0 Fe Fe12 1 0.95569300 0.08861400 0.87854100 1.0 Fe Fe13 1 0.04430700 0.91138600 0.12145900 1.0 Fe Fe14 1 0.54430700 0.91138600 0.37854100 1.0 Fe Fe15 1 0.45569300 0.08861400 0.62145900 1.0 Fe Fe16 1 0.50000000 0.50000000 0.50000000 1.0 Fe Fe17 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe18 1 0.50000000 0.50000000 0.00000000 1.0 Fe Fe19 1 0.00000000 0.50000000 0.00000000 1.0 Si Si20 1 0.64141200 0.71717700 0.49025700 1.0 Si Si21 1 0.35858800 0.28282300 0.50974300 1.0 Si Si22 1 0.85858800 0.28282300 0.99025700 1.0 Si Si23 1 0.14141200 0.71717700 0.00974300 1.0 Si Si24 1 0.66202000 0.17596100 0.75000000 1.0 Si Si25 1 0.83798000 0.82403900 0.25000000 1.0 Si Si26 1 0.33798000 0.82403900 0.25000000 1.0 Si Si27 1 0.16202000 0.17596100 0.75000000 1.0 Si Si28 1 0.24885400 0.00000000 0.50000000 1.0 Si Si29 1 0.74885400 0.00000000 0.00000000 1.0 Si Si30 1 0.75114600 0.00000000 0.50000000 1.0 Si Si31 1 0.25114600 0.00000000 0.00000000 1.0 Si Si32 1 0.72699900 0.54600100 0.63527400 1.0 Si Si33 1 0.27300100 0.45399900 0.36472600 1.0 Si Si34 1 0.77300100 0.45399900 0.13527400 1.0 Si Si35 1 0.22699900 0.54600100 0.86472600 1.0 Si Si36 1 0.58739200 0.82521600 0.64384700 1.0 Si Si37 1 0.41260800 0.17478400 0.35615300 1.0 Si Si38 1 0.91260800 0.17478400 0.14384700 1.0 Si Si39 1 0.08739200 0.82521600 0.85615300 1.0 Si Si40 1 0.66340500 0.67319000 0.91321000 1.0 Si Si41 1 0.33659500 0.32681000 0.08679000 1.0 Si Si42 1 0.83659500 0.32681000 0.41321000 1.0 Si Si43 1 0.16340500 0.67319000 0.58679000 1.0