# generated using pymatgen data_Sc11(AlGe4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.53890453 _cell_length_b 10.53890453 _cell_length_c 10.53890453 _cell_angle_alpha 120.57677353 _cell_angle_beta 120.57677353 _cell_angle_gamma 89.00386869 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc11(AlGe4)2 _chemical_formula_sum 'Sc22 Al4 Ge16' _cell_volume 820.34680591 _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 Sc Sc0 1 0.94118000 0.68973500 0.25144500 1.0 Sc Sc1 1 0.68973500 0.94118000 0.25144500 1.0 Sc Sc2 1 0.68973500 0.43829000 0.74855500 1.0 Sc Sc3 1 0.05882000 0.31026500 0.74855500 1.0 Sc Sc4 1 0.43880900 0.10276800 0.33604200 1.0 Sc Sc5 1 0.10276800 0.76672600 0.66395800 1.0 Sc Sc6 1 0.10276800 0.43880900 0.33604200 1.0 Sc Sc7 1 0.56119100 0.89723200 0.66395800 1.0 Sc Sc8 1 0.23327400 0.89723200 0.33604200 1.0 Sc Sc9 1 0.89723200 0.23327400 0.33604200 1.0 Sc Sc10 1 0.89723200 0.56119100 0.66395800 1.0 Sc Sc11 1 0.76672600 0.10276800 0.66395800 1.0 Sc Sc12 1 0.32830000 0.32830000 0.65660100 1.0 Sc Sc13 1 0.32830000 0.67170000 0.00000000 1.0 Sc Sc14 1 0.67170000 0.32830000 0.00000000 1.0 Sc Sc15 1 0.67170000 0.67170000 0.34339900 1.0 Sc Sc16 1 0.16927500 0.16927500 0.00000000 1.0 Sc Sc17 1 0.83072500 0.83072500 0.00000000 1.0 Sc Sc18 1 0.31026500 0.56171000 0.25144500 1.0 Sc Sc19 1 0.31026500 0.05882000 0.74855500 1.0 Sc Sc20 1 0.56171000 0.31026500 0.25144500 1.0 Sc Sc21 1 0.43829000 0.68973500 0.74855500 1.0 Al Al22 1 0.87286000 0.12714000 0.00000000 1.0 Al Al23 1 0.12714000 0.87286000 0.00000000 1.0 Al Al24 1 0.12714000 0.12714000 0.25428000 1.0 Al Al25 1 0.87286000 0.87286000 0.74572000 1.0 Ge Ge26 1 0.37446000 0.37446000 0.40771400 1.0 Ge Ge27 1 0.37446000 0.96674600 0.00000000 1.0 Ge Ge28 1 0.96674600 0.37446000 0.00000000 1.0 Ge Ge29 1 0.62554000 0.03325400 0.00000000 1.0 Ge Ge30 1 0.03325400 0.62554000 0.00000000 1.0 Ge Ge31 1 0.03325400 0.03325400 0.40771400 1.0 Ge Ge32 1 0.62554000 0.62554000 0.59228600 1.0 Ge Ge33 1 0.96674600 0.96674600 0.59228600 1.0 Ge Ge34 1 0.50000000 0.14705500 0.64705500 1.0 Ge Ge35 1 0.14705500 0.50000000 0.64705500 1.0 Ge Ge36 1 0.85294500 0.50000000 0.35294500 1.0 Ge Ge37 1 0.50000000 0.85294500 0.35294500 1.0 Ge Ge38 1 0.38198600 0.38198600 0.00000000 1.0 Ge Ge39 1 0.61801400 0.61801400 0.00000000 1.0 Ge Ge40 1 0.75000000 0.25000000 0.50000000 1.0 Ge Ge41 1 0.25000000 0.75000000 0.50000000 1.0