# generated using pymatgen data_Sc5SiGeSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38646425 _cell_length_b 7.40987971 _cell_length_c 14.33811922 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5SiGeSb2 _chemical_formula_sum 'Sc20 Si4 Ge4 Sb8' _cell_volume 784.76557769 _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 Sc Sc0 1 0.58532340 0.16574760 0.62534690 1.0 Sc Sc1 1 0.08532340 0.33425240 0.87465310 1.0 Sc Sc2 1 0.41467660 0.83425240 0.12534690 1.0 Sc Sc3 1 0.91467660 0.66574760 0.37465310 1.0 Sc Sc4 1 0.41467660 0.83425240 0.37465310 1.0 Sc Sc5 1 0.91467660 0.66574760 0.12534690 1.0 Sc Sc6 1 0.58532340 0.16574760 0.87465310 1.0 Sc Sc7 1 0.08532340 0.33425240 0.62534690 1.0 Sc Sc8 1 0.41343849 0.66172465 0.62482442 1.0 Sc Sc9 1 0.91343849 0.83827535 0.87517558 1.0 Sc Sc10 1 0.58656151 0.33827535 0.12482442 1.0 Sc Sc11 1 0.08656151 0.16172465 0.37517558 1.0 Sc Sc12 1 0.58656151 0.33827535 0.37517558 1.0 Sc Sc13 1 0.08656151 0.16172465 0.12482442 1.0 Sc Sc14 1 0.41343849 0.66172465 0.87517558 1.0 Sc Sc15 1 0.91343849 0.83827535 0.62482442 1.0 Sc Sc16 1 0.74856042 0.49759148 0.75000000 1.0 Sc Sc17 1 0.24856042 0.00240852 0.75000000 1.0 Sc Sc18 1 0.25143958 0.50240852 0.25000000 1.0 Sc Sc19 1 0.75143958 0.99759148 0.25000000 1.0 Si Si20 1 0.38317396 0.36622261 0.75000000 1.0 Si Si21 1 0.88317396 0.13377739 0.75000000 1.0 Si Si22 1 0.61682604 0.63377739 0.25000000 1.0 Si Si23 1 0.11682604 0.86622261 0.25000000 1.0 Ge Ge24 1 0.61608672 0.86558533 0.75000000 1.0 Ge Ge25 1 0.11608672 0.63441467 0.75000000 1.0 Ge Ge26 1 0.38391328 0.13441467 0.25000000 1.0 Ge Ge27 1 0.88391328 0.36558533 0.25000000 1.0 Sb Sb28 1 0.74974684 0.00095768 0.45513376 1.0 Sb Sb29 1 0.24974684 0.49904232 0.04486624 1.0 Sb Sb30 1 0.25025316 0.99904232 0.95513376 1.0 Sb Sb31 1 0.75025316 0.50095768 0.54486624 1.0 Sb Sb32 1 0.25025316 0.99904232 0.54486624 1.0 Sb Sb33 1 0.75025316 0.50095768 0.95513376 1.0 Sb Sb34 1 0.74974684 0.00095768 0.04486624 1.0 Sb Sb35 1 0.24974684 0.49904232 0.45513376 1.0