# generated using pymatgen data_Y2Sc3(SiGe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20866568 _cell_length_b 7.39131616 _cell_length_c 14.05571010 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2Sc3(SiGe)2 _chemical_formula_sum 'Y8 Sc12 Si8 Ge8' _cell_volume 748.90969960 _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 Y Y0 1 0.99571165 0.17939370 0.09824776 1.0 Y Y1 1 0.00428835 0.82060630 0.90175224 1.0 Y Y2 1 0.50428835 0.67939370 0.90175224 1.0 Y Y3 1 0.00428835 0.82060630 0.59824776 1.0 Y Y4 1 0.49571165 0.32060630 0.09824776 1.0 Y Y5 1 0.99571165 0.17939370 0.40175224 1.0 Y Y6 1 0.49571165 0.32060630 0.40175224 1.0 Y Y7 1 0.50428835 0.67939370 0.59824776 1.0 Sc Sc8 1 0.18533247 0.49663028 0.75000000 1.0 Sc Sc9 1 0.81466753 0.50336972 0.25000000 1.0 Sc Sc10 1 0.31466753 0.99663028 0.25000000 1.0 Sc Sc11 1 0.68533247 0.00336972 0.75000000 1.0 Sc Sc12 1 0.35176927 0.16842121 0.62437751 1.0 Sc Sc13 1 0.64823073 0.83157879 0.37562249 1.0 Sc Sc14 1 0.14823073 0.66842121 0.37562249 1.0 Sc Sc15 1 0.64823073 0.83157879 0.12437751 1.0 Sc Sc16 1 0.85176927 0.33157879 0.62437751 1.0 Sc Sc17 1 0.35176927 0.16842121 0.87562249 1.0 Sc Sc18 1 0.85176927 0.33157879 0.87562249 1.0 Sc Sc19 1 0.14823073 0.66842121 0.12437751 1.0 Si Si20 1 0.05584759 0.11649206 0.75000000 1.0 Si Si21 1 0.94415241 0.88350794 0.25000000 1.0 Si Si22 1 0.44415241 0.61649206 0.25000000 1.0 Si Si23 1 0.55584759 0.38350794 0.75000000 1.0 Si Si24 1 0.30221886 0.87268739 0.75000000 1.0 Si Si25 1 0.69778114 0.12731261 0.25000000 1.0 Si Si26 1 0.19778114 0.37268739 0.25000000 1.0 Si Si27 1 0.80221886 0.62731261 0.75000000 1.0 Ge Ge28 1 0.18822362 0.45828893 0.54174231 1.0 Ge Ge29 1 0.81177638 0.54171107 0.45825769 1.0 Ge Ge30 1 0.31177638 0.95828893 0.45825769 1.0 Ge Ge31 1 0.81177638 0.54171107 0.04174231 1.0 Ge Ge32 1 0.68822362 0.04171107 0.54174231 1.0 Ge Ge33 1 0.18822362 0.45828893 0.95825769 1.0 Ge Ge34 1 0.68822362 0.04171107 0.95825769 1.0 Ge Ge35 1 0.31177638 0.95828893 0.04174231 1.0