# generated using pymatgen data_Pr2Sc3SiGe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38705964 _cell_length_b 14.34577767 _cell_length_c 7.56690485 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2Sc3SiGe3 _chemical_formula_sum 'Pr8 Sc12 Si4 Ge12' _cell_volume 801.88848031 _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 Pr Pr0 1 0.99970909 0.59829831 0.17466856 1.0 Pr Pr1 1 0.50029091 0.40170169 0.67466856 1.0 Pr Pr2 1 0.49971009 0.90170169 0.32533144 1.0 Pr Pr3 1 0.00029191 0.09829931 0.82533144 1.0 Pr Pr4 1 0.00029191 0.40170169 0.82533144 1.0 Pr Pr5 1 0.49971009 0.59829831 0.32533144 1.0 Pr Pr6 1 0.50029091 0.09829931 0.67466856 1.0 Pr Pr7 1 0.99970909 0.90170169 0.17466856 1.0 Sc Sc8 1 0.34589276 0.12472730 0.16942596 1.0 Sc Sc9 1 0.15410824 0.87527270 0.66942496 1.0 Sc Sc10 1 0.84589276 0.37527270 0.33057404 1.0 Sc Sc11 1 0.65410724 0.62472730 0.83057404 1.0 Sc Sc12 1 0.65410724 0.87527270 0.83057404 1.0 Sc Sc13 1 0.84589276 0.12472730 0.33057404 1.0 Sc Sc14 1 0.15410824 0.62472730 0.66942496 1.0 Sc Sc15 1 0.34589276 0.37527270 0.16942596 1.0 Sc Sc16 1 0.17746043 0.25000000 0.49062393 1.0 Sc Sc17 1 0.32253757 0.75000000 0.99062493 1.0 Sc Sc18 1 0.67746143 0.25000000 0.00937507 1.0 Sc Sc19 1 0.82253857 0.75000000 0.50937507 1.0 Si Si20 1 0.04702778 0.25000000 0.13144601 1.0 Si Si21 1 0.45297122 0.75000000 0.63144501 1.0 Si Si22 1 0.54702778 0.25000000 0.36855599 1.0 Si Si23 1 0.95297122 0.75000000 0.86855699 1.0 Ge Ge24 1 0.30474181 0.25000000 0.87490003 1.0 Ge Ge25 1 0.19525919 0.75000000 0.37490003 1.0 Ge Ge26 1 0.80474081 0.25000000 0.62509997 1.0 Ge Ge27 1 0.69525919 0.75000000 0.12510097 1.0 Ge Ge28 1 0.17661245 0.04330947 0.45571492 1.0 Ge Ge29 1 0.32338855 0.95669153 0.95571592 1.0 Ge Ge30 1 0.67661245 0.45669153 0.04428408 1.0 Ge Ge31 1 0.82338755 0.54330847 0.54428408 1.0 Ge Ge32 1 0.82338755 0.95669153 0.54428408 1.0 Ge Ge33 1 0.67661245 0.04330947 0.04428408 1.0 Ge Ge34 1 0.32338855 0.54330847 0.95571592 1.0 Ge Ge35 1 0.17661245 0.45669153 0.45571492 1.0