# generated using pymatgen data_Sc3Zn17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.95203045 _cell_length_b 11.95203045 _cell_length_c 11.95203045 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Zn17 _chemical_formula_sum 'Sc12 Zn68' _cell_volume 1314.32625193 _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 0.69992300 0.51174100 0.81181800 1.0 Sc Sc1 1 0.18818200 0.30007700 0.48825900 1.0 Sc Sc2 1 0.48825900 0.18818200 0.30007700 1.0 Sc Sc3 1 0.88810500 0.18818200 0.69992300 1.0 Sc Sc4 1 0.18818200 0.69992300 0.88810500 1.0 Sc Sc5 1 0.69992300 0.88810500 0.18818200 1.0 Sc Sc6 1 0.11189500 0.81181800 0.30007700 1.0 Sc Sc7 1 0.30007700 0.11189500 0.81181800 1.0 Sc Sc8 1 0.81181800 0.30007700 0.11189500 1.0 Sc Sc9 1 0.51174100 0.81181800 0.69992300 1.0 Sc Sc10 1 0.30007700 0.48825900 0.18818200 1.0 Sc Sc11 1 0.81181800 0.69992300 0.51174100 1.0 Zn Zn12 1 0.77619300 0.91560700 0.46027900 1.0 Zn Zn13 1 0.40438800 0.00000000 0.40438800 1.0 Zn Zn14 1 0.74947400 0.40388700 0.34558800 1.0 Zn Zn15 1 0.46027900 0.54467200 0.68408700 1.0 Zn Zn16 1 0.00000000 0.40438800 0.40438800 1.0 Zn Zn17 1 0.13941400 0.45532800 0.91560700 1.0 Zn Zn18 1 0.23093600 0.90971700 0.14065300 1.0 Zn Zn19 1 0.00000000 0.59561200 0.59561200 1.0 Zn Zn20 1 0.31539500 0.31539500 0.31539500 1.0 Zn Zn21 1 0.31591300 0.53972100 0.45532800 1.0 Zn Zn22 1 0.68408700 0.46027900 0.54467200 1.0 Zn Zn23 1 0.94170100 0.59611300 0.34558800 1.0 Zn Zn24 1 0.85934700 0.76906400 0.09028300 1.0 Zn Zn25 1 0.86058600 0.77619300 0.31591300 1.0 Zn Zn26 1 0.80987700 0.30987700 0.50000000 1.0 Zn Zn27 1 0.68408700 0.13941400 0.22380700 1.0 Zn Zn28 1 0.91560700 0.13941400 0.45532800 1.0 Zn Zn29 1 0.50000000 0.19012300 0.69012300 1.0 Zn Zn30 1 0.00000000 0.00000000 0.31539500 1.0 Zn Zn31 1 0.40438800 0.40438800 0.00000000 1.0 Zn Zn32 1 0.00000000 0.31539500 0.00000000 1.0 Zn Zn33 1 0.14065300 0.23093600 0.90971700 1.0 Zn Zn34 1 0.59611300 0.65441200 0.25052600 1.0 Zn Zn35 1 0.30987700 0.50000000 0.80987700 1.0 Zn Zn36 1 0.90971700 0.67878100 0.76906400 1.0 Zn Zn37 1 0.40388700 0.65441200 0.05829900 1.0 Zn Zn38 1 0.22380700 0.08439300 0.53972100 1.0 Zn Zn39 1 0.08439300 0.86058600 0.54467200 1.0 Zn Zn40 1 0.09028300 0.85934700 0.76906400 1.0 Zn Zn41 1 0.67878100 0.76906400 0.90971700 1.0 Zn Zn42 1 0.54467200 0.08439300 0.86058600 1.0 Zn Zn43 1 0.59561200 0.00000000 0.59561200 1.0 Zn Zn44 1 0.31591300 0.86058600 0.77619300 1.0 Zn Zn45 1 0.22380700 0.68408700 0.13941400 1.0 Zn Zn46 1 0.25052600 0.59611300 0.65441200 1.0 Zn Zn47 1 0.19012300 0.69012300 0.50000000 1.0 Zn Zn48 1 0.00000000 0.68460500 0.00000000 1.0 Zn Zn49 1 0.59611300 0.34558800 0.94170100 1.0 Zn Zn50 1 0.09028300 0.32121900 0.23093600 1.0 Zn Zn51 1 0.53972100 0.22380700 0.08439300 1.0 Zn Zn52 1 0.46027900 0.77619300 0.91560700 1.0 Zn Zn53 1 0.05829900 0.40388700 0.65441200 1.0 Zn Zn54 1 0.68460500 0.00000000 0.00000000 1.0 Zn Zn55 1 0.68460500 0.68460500 0.68460500 1.0 Zn Zn56 1 0.86058600 0.54467200 0.08439300 1.0 Zn Zn57 1 0.45532800 0.91560700 0.13941400 1.0 Zn Zn58 1 0.31539500 0.00000000 0.00000000 1.0 Zn Zn59 1 0.34558800 0.94170100 0.59611300 1.0 Zn Zn60 1 0.53972100 0.45532800 0.31591300 1.0 Zn Zn61 1 0.69012300 0.50000000 0.19012300 1.0 Zn Zn62 1 0.59561200 0.59561200 0.00000000 1.0 Zn Zn63 1 0.65441200 0.25052600 0.59611300 1.0 Zn Zn64 1 0.65441200 0.05829900 0.40388700 1.0 Zn Zn65 1 0.34558800 0.74947400 0.40388700 1.0 Zn Zn66 1 0.50000000 0.80987700 0.30987700 1.0 Zn Zn67 1 0.76906400 0.90971700 0.67878100 1.0 Zn Zn68 1 0.91560700 0.46027900 0.77619300 1.0 Zn Zn69 1 0.23093600 0.09028300 0.32121900 1.0 Zn Zn70 1 0.08439300 0.53972100 0.22380700 1.0 Zn Zn71 1 0.90971700 0.14065300 0.23093600 1.0 Zn Zn72 1 0.13941400 0.22380700 0.68408700 1.0 Zn Zn73 1 0.77619300 0.31591300 0.86058600 1.0 Zn Zn74 1 0.32121900 0.23093600 0.09028300 1.0 Zn Zn75 1 0.45532800 0.31591300 0.53972100 1.0 Zn Zn76 1 0.40388700 0.34558800 0.74947400 1.0 Zn Zn77 1 0.76906400 0.09028300 0.85934700 1.0 Zn Zn78 1 0.00000000 0.00000000 0.68460500 1.0 Zn Zn79 1 0.54467200 0.68408700 0.46027900 1.0