# generated using pymatgen data_Gd2Sc3Ge4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.28272100 _cell_length_b 7.52565700 _cell_length_c 14.17262800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2Sc3Ge4 _chemical_formula_sum 'Gd8 Sc12 Ge16' _cell_volume 776.76291154 _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 Gd Gd0 1 0.99830100 0.17634500 0.09612100 1.0 Gd Gd1 1 0.00169900 0.82365500 0.90387900 1.0 Gd Gd2 1 0.50169900 0.67634500 0.90387900 1.0 Gd Gd3 1 0.00169900 0.82365500 0.59612100 1.0 Gd Gd4 1 0.49830100 0.32365500 0.09612100 1.0 Gd Gd5 1 0.99830100 0.17634500 0.40387900 1.0 Gd Gd6 1 0.49830100 0.32365500 0.40387900 1.0 Gd Gd7 1 0.50169900 0.67634500 0.59612100 1.0 Sc Sc8 1 0.17556000 0.49985900 0.75000000 1.0 Sc Sc9 1 0.82444000 0.50014100 0.25000000 1.0 Sc Sc10 1 0.32444000 0.99985900 0.25000000 1.0 Sc Sc11 1 0.67556000 0.00014100 0.75000000 1.0 Sc Sc12 1 0.34051900 0.16811000 0.62465700 1.0 Sc Sc13 1 0.65948100 0.83189000 0.37534300 1.0 Sc Sc14 1 0.15948100 0.66811000 0.37534300 1.0 Sc Sc15 1 0.65948100 0.83189000 0.12465700 1.0 Sc Sc16 1 0.84051900 0.33189000 0.62465700 1.0 Sc Sc17 1 0.34051900 0.16811000 0.87534300 1.0 Sc Sc18 1 0.84051900 0.33189000 0.87534300 1.0 Sc Sc19 1 0.15948100 0.66811000 0.12465700 1.0 Ge Ge20 1 0.17682200 0.45900400 0.54164600 1.0 Ge Ge21 1 0.82317800 0.54099600 0.45835400 1.0 Ge Ge22 1 0.32317800 0.95900400 0.45835400 1.0 Ge Ge23 1 0.82317800 0.54099600 0.04164600 1.0 Ge Ge24 1 0.67682200 0.04099600 0.54164600 1.0 Ge Ge25 1 0.17682200 0.45900400 0.95835400 1.0 Ge Ge26 1 0.67682200 0.04099600 0.95835400 1.0 Ge Ge27 1 0.32317800 0.95900400 0.04164600 1.0 Ge Ge28 1 0.03933800 0.12715900 0.75000000 1.0 Ge Ge29 1 0.96066200 0.87284100 0.25000000 1.0 Ge Ge30 1 0.46066200 0.62715900 0.25000000 1.0 Ge Ge31 1 0.53933800 0.37284100 0.75000000 1.0 Ge Ge32 1 0.30722400 0.86328400 0.75000000 1.0 Ge Ge33 1 0.69277600 0.13671600 0.25000000 1.0 Ge Ge34 1 0.19277600 0.36328400 0.25000000 1.0 Ge Ge35 1 0.80722400 0.63671600 0.75000000 1.0