# generated using pymatgen data_Er2Sc3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04888356 _cell_length_b 7.36287350 _cell_length_c 13.90933045 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2Sc3Si4 _chemical_formula_sum 'Er8 Sc12 Si16' _cell_volume 721.89477847 _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 Er Er0 1 0.01167174 0.17675530 0.09709875 1.0 Er Er1 1 0.98832826 0.82324470 0.90290125 1.0 Er Er2 1 0.48832826 0.67675530 0.90290125 1.0 Er Er3 1 0.98832826 0.82324470 0.59709875 1.0 Er Er4 1 0.51167174 0.32324470 0.09709875 1.0 Er Er5 1 0.01167174 0.17675530 0.40290125 1.0 Er Er6 1 0.51167174 0.32324470 0.40290125 1.0 Er Er7 1 0.48832826 0.67675530 0.59709875 1.0 Sc Sc8 1 0.16260951 0.50363897 0.75000000 1.0 Sc Sc9 1 0.83739049 0.49636103 0.25000000 1.0 Sc Sc10 1 0.33739049 0.00363897 0.25000000 1.0 Sc Sc11 1 0.66260951 0.99636103 0.75000000 1.0 Sc Sc12 1 0.32992726 0.17692410 0.62554997 1.0 Sc Sc13 1 0.67007274 0.82307590 0.37445003 1.0 Sc Sc14 1 0.17007274 0.67692410 0.37445003 1.0 Sc Sc15 1 0.67007274 0.82307590 0.12554997 1.0 Sc Sc16 1 0.82992726 0.32307590 0.62554997 1.0 Sc Sc17 1 0.32992726 0.17692410 0.87445003 1.0 Sc Sc18 1 0.82992726 0.32307590 0.87445003 1.0 Sc Sc19 1 0.17007274 0.67692410 0.12554997 1.0 Si Si20 1 0.03327370 0.11317030 0.75000000 1.0 Si Si21 1 0.96672630 0.88682970 0.25000000 1.0 Si Si22 1 0.46672630 0.61317030 0.25000000 1.0 Si Si23 1 0.53327370 0.38682970 0.75000000 1.0 Si Si24 1 0.28542196 0.87056913 0.75000000 1.0 Si Si25 1 0.71457804 0.12943087 0.25000000 1.0 Si Si26 1 0.21457804 0.37056913 0.25000000 1.0 Si Si27 1 0.78542196 0.62943087 0.75000000 1.0 Si Si28 1 0.15903492 0.46565035 0.53861870 1.0 Si Si29 1 0.84096508 0.53434965 0.46138130 1.0 Si Si30 1 0.34096508 0.96565035 0.46138130 1.0 Si Si31 1 0.84096508 0.53434965 0.03861870 1.0 Si Si32 1 0.65903492 0.03434965 0.53861870 1.0 Si Si33 1 0.15903492 0.46565035 0.96138130 1.0 Si Si34 1 0.65903492 0.03434965 0.96138130 1.0 Si Si35 1 0.34096508 0.96565035 0.03861870 1.0