# generated using pymatgen data_Sc8Al5Si11Tc12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62474876 _cell_length_b 6.69693236 _cell_length_c 12.42589009 _cell_angle_alpha 89.83722172 _cell_angle_beta 89.94250254 _cell_angle_gamma 89.20968684 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Al5Si11Tc12 _chemical_formula_sum 'Sc8 Al5 Si11 Tc12' _cell_volume 551.22583256 _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 0.48979502 0.32468783 0.09106982 1.0 Sc Sc1 1 0.99803564 0.17494590 0.40912679 1.0 Sc Sc2 1 0.51124881 0.66828039 0.59085963 1.0 Sc Sc3 1 0.00903343 0.82597854 0.91180863 1.0 Sc Sc4 1 0.50700142 0.66642226 0.90926829 1.0 Sc Sc5 1 0.01373768 0.82638114 0.59047630 1.0 Sc Sc6 1 0.49016947 0.33573925 0.40442237 1.0 Sc Sc7 1 0.99448052 0.17139643 0.09016265 1.0 Al Al8 1 0.65913914 0.05687514 0.55394602 1.0 Al Al9 1 0.52131935 0.34952352 0.74512429 1.0 Al Al10 1 0.01070801 0.12983189 0.75191146 1.0 Al Al11 1 0.47355161 0.65051876 0.24132952 1.0 Al Al12 1 0.99018168 0.86741157 0.25129095 1.0 Si Si13 1 0.15742746 0.44947557 0.94847098 1.0 Si Si14 1 0.34383600 0.94106141 0.05445302 1.0 Si Si15 1 0.83985268 0.54834798 0.45104586 1.0 Si Si16 1 0.34610465 0.94957640 0.44803547 1.0 Si Si17 1 0.82999695 0.54621327 0.04997401 1.0 Si Si18 1 0.65655782 0.05011934 0.94911278 1.0 Si Si19 1 0.16597393 0.45162936 0.55008556 1.0 Si Si20 1 0.80225152 0.64169147 0.75116900 1.0 Si Si21 1 0.30269531 0.85215583 0.75043785 1.0 Si Si22 1 0.19543705 0.36736196 0.24823801 1.0 Si Si23 1 0.70240231 0.14708775 0.25103179 1.0 Tc Tc24 1 0.83591723 0.36514479 0.62254117 1.0 Tc Tc25 1 0.31137969 0.13915857 0.88162898 1.0 Tc Tc26 1 0.15982902 0.64135077 0.11411523 1.0 Tc Tc27 1 0.68623996 0.85289745 0.37702071 1.0 Tc Tc28 1 0.17596491 0.64530151 0.38346079 1.0 Tc Tc29 1 0.69909498 0.86431354 0.11916231 1.0 Tc Tc30 1 0.82131797 0.35470936 0.88116570 1.0 Tc Tc31 1 0.29832668 0.13776985 0.62100500 1.0 Tc Tc32 1 0.65598610 0.97770439 0.75557252 1.0 Tc Tc33 1 0.16578714 0.51367137 0.75087145 1.0 Tc Tc34 1 0.34631714 0.02704663 0.24961353 1.0 Tc Tc35 1 0.83289973 0.48822081 0.25098954 1.0