# generated using pymatgen data_Sc8Cr9Re3Si16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.57318930 _cell_length_b 6.57318930 _cell_length_c 12.21473054 _cell_angle_alpha 90.01072152 _cell_angle_beta 89.98927848 _cell_angle_gamma 90.21566769 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Cr9Re3Si16 _chemical_formula_sum 'Sc8 Cr9 Re3 Si16' _cell_volume 527.75587725 _cell_formula_units_Z 1 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 0.00341447 0.66412227 0.02878976 1.0 Sc Sc1 1 0.99438851 0.33437006 0.52990734 1.0 Sc Sc2 1 0.33437006 0.99438851 0.47009266 1.0 Sc Sc3 1 0.16172329 0.49600558 0.77929765 1.0 Sc Sc4 1 0.83846176 0.50218374 0.28030263 1.0 Sc Sc5 1 0.49600558 0.16172329 0.22070235 1.0 Sc Sc6 1 0.50218374 0.83846176 0.71969737 1.0 Sc Sc7 1 0.66412227 0.00341447 0.97121024 1.0 Cr Cr8 1 0.66839826 0.66839826 0.50000000 1.0 Cr Cr9 1 0.00459129 0.82734938 0.62519777 1.0 Cr Cr10 1 0.98989700 0.17202926 0.12733031 1.0 Cr Cr11 1 0.82734938 0.00459129 0.37480223 1.0 Cr Cr12 1 0.33098504 0.49263262 0.37819514 1.0 Cr Cr13 1 0.67638930 0.51072043 0.88093455 1.0 Cr Cr14 1 0.49263262 0.33098504 0.62180486 1.0 Cr Cr15 1 0.51072043 0.67638930 0.11906545 1.0 Cr Cr16 1 0.17202926 0.98989700 0.87266969 1.0 Re Re17 1 0.16795850 0.83366236 0.24877772 1.0 Re Re18 1 0.33297749 0.33297749 0.00000000 1.0 Re Re19 1 0.83366236 0.16795850 0.75122228 1.0 Si Si20 1 0.03574253 0.71078552 0.43507147 1.0 Si Si21 1 0.61994911 0.29764743 0.43299543 1.0 Si Si22 1 0.38017378 0.70008258 0.93005773 1.0 Si Si23 1 0.19910542 0.12217110 0.68203329 1.0 Si Si24 1 0.29764743 0.61994911 0.56700457 1.0 Si Si25 1 0.70008258 0.38017378 0.06994227 1.0 Si Si26 1 0.80002289 0.87811811 0.18310768 1.0 Si Si27 1 0.12217110 0.19910542 0.31796671 1.0 Si Si28 1 0.96789262 0.28505109 0.93566045 1.0 Si Si29 1 0.71078552 0.03574253 0.56492853 1.0 Si Si30 1 0.21706801 0.46785785 0.18553059 1.0 Si Si31 1 0.78308169 0.53298868 0.68687208 1.0 Si Si32 1 0.46785785 0.21706801 0.81446941 1.0 Si Si33 1 0.53298868 0.78308169 0.31312792 1.0 Si Si34 1 0.28505109 0.96789262 0.06433955 1.0 Si Si35 1 0.87811811 0.80002289 0.81689232 1.0