# generated using pymatgen data_Sc4Tc3B8Ru7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01529876 _cell_length_b 8.49407518 _cell_length_c 9.98676081 _cell_angle_alpha 90.17203543 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4Tc3B8Ru7 _chemical_formula_sum 'Sc4 Tc3 B8 Ru7' _cell_volume 255.78150642 _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 0.50000000 0.84174306 0.18097154 1.0 Sc Sc1 1 0.50000000 0.15793734 0.82032150 1.0 Sc Sc2 1 0.50000000 0.65767188 0.68213208 1.0 Sc Sc3 1 0.50000000 0.34285980 0.31616915 1.0 Tc Tc4 1 0.00000000 0.65940174 0.95296345 1.0 Tc Tc5 1 0.00000000 0.34060602 0.04657072 1.0 Tc Tc6 1 0.00000000 0.84255408 0.45415532 1.0 B B7 1 0.50000000 0.96214533 0.58860565 1.0 B B8 1 0.50000000 0.03207019 0.41021779 1.0 B B9 1 0.50000000 0.84968282 0.90134980 1.0 B B10 1 0.50000000 0.15193494 0.09937794 1.0 B B11 1 0.50000000 0.65072436 0.39996086 1.0 B B12 1 0.50000000 0.35039073 0.59977153 1.0 B B13 1 0.50000000 0.46469225 0.91187103 1.0 B B14 1 0.50000000 0.53582577 0.08762192 1.0 Ru Ru15 1 0.00000000 0.16042815 0.54760257 1.0 Ru Ru16 1 0.00000000 0.00026656 0.00059448 1.0 Ru Ru17 1 0.00000000 0.40325303 0.75968892 1.0 Ru Ru18 1 0.00000000 0.59609302 0.23954142 1.0 Ru Ru19 1 0.00000000 0.49920045 0.49982662 1.0 Ru Ru20 1 0.00000000 0.90485644 0.73919770 1.0 Ru Ru21 1 0.00000000 0.09566105 0.26149001 1.0