# generated using pymatgen data_Sc3Ga2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.34670299 _cell_length_b 10.34666127 _cell_length_c 10.34666148 _cell_angle_alpha 95.54750463 _cell_angle_beta 116.85037870 _cell_angle_gamma 116.85038895 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Ga2 _chemical_formula_sum 'Sc24 Ga16' _cell_volume 816.37284802 _cell_formula_units_Z 8 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 0.72979947 0.43226164 0.56962344 1.0 Sc Sc1 1 0.27020349 0.83982943 0.70246475 1.0 Sc Sc2 1 0.27020053 0.93037656 0.06773836 1.0 Sc Sc3 1 0.86262599 0.70245621 0.43225381 1.0 Sc Sc4 1 0.13737357 0.56963159 0.83983242 1.0 Sc Sc5 1 0.13737401 0.06774619 0.79754379 1.0 Sc Sc6 1 0.86262643 0.66016758 0.93036841 1.0 Sc Sc7 1 0.72979651 0.79753525 0.66017057 1.0 Sc Sc8 1 0.27020053 0.56773836 0.43037656 1.0 Sc Sc9 1 0.72979651 0.16017057 0.29753525 1.0 Sc Sc10 1 0.72979947 0.06962344 0.93226164 1.0 Sc Sc11 1 0.13737401 0.29754379 0.56774619 1.0 Sc Sc12 1 0.86262643 0.43036841 0.16016758 1.0 Sc Sc13 1 0.86262599 0.93225381 0.20245621 1.0 Sc Sc14 1 0.13737357 0.33983242 0.06963159 1.0 Sc Sc15 1 0.27020349 0.20246475 0.33982943 1.0 Sc Sc16 1 0.50000139 0.64691567 0.14691567 1.0 Sc Sc17 1 0.50000305 0.14692362 0.64692362 1.0 Sc Sc18 1 0.49999695 0.85307638 0.35307638 1.0 Sc Sc19 1 0.49999861 0.35308433 0.85308433 1.0 Sc Sc20 1 0.83927151 0.16963556 0.66963556 1.0 Sc Sc21 1 0.50000000 0.66963275 0.83036725 1.0 Sc Sc22 1 0.50000000 0.33036725 0.16963275 1.0 Sc Sc23 1 0.16072849 0.83036444 0.33036444 1.0 Ga Ga24 1 0.85352572 0.37654112 0.87654112 1.0 Ga Ga25 1 0.14648046 0.02302397 0.52302397 1.0 Ga Ga26 1 0.14647428 0.62345888 0.12345888 1.0 Ga Ga27 1 0.49998640 0.52300917 0.37652827 1.0 Ga Ga28 1 0.49998640 0.87652827 0.02300917 1.0 Ga Ga29 1 0.50001360 0.12347173 0.97699083 1.0 Ga Ga30 1 0.50001360 0.47699083 0.62347173 1.0 Ga Ga31 1 0.85351954 0.97697603 0.47697603 1.0 Ga Ga32 1 0.26352466 0.38176240 0.88176240 1.0 Ga Ga33 1 0.50000000 0.88176292 0.61823708 1.0 Ga Ga34 1 0.50000000 0.11823708 0.38176292 1.0 Ga Ga35 1 0.73647534 0.61823760 0.11823760 1.0 Ga Ga36 1 0.00000000 0.50000000 0.50000000 1.0 Ga Ga37 1 0.00000000 0.00000000 0.00000000 1.0 Ga Ga38 1 -0.00000000 0.75000054 0.74999946 1.0 Ga Ga39 1 0.00000000 0.24999946 0.25000054 1.0