# generated using pymatgen data_Sc8Tc3B24Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49774463 _cell_length_b 8.88342605 _cell_length_c 11.18326269 _cell_angle_alpha 89.93802415 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Tc3B24Ru _chemical_formula_sum 'Sc8 Tc3 B24 Ru1' _cell_volume 347.48564020 _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 0.00000000 0.32197707 0.41308748 1.0 Sc Sc1 1 0.00000000 0.67613061 0.58319341 1.0 Sc Sc2 1 0.00000000 0.82058965 0.08828810 1.0 Sc Sc3 1 0.00000000 0.18017489 0.91471732 1.0 Sc Sc4 1 0.00000000 0.94298171 0.37075344 1.0 Sc Sc5 1 0.00000000 0.05725731 0.62943212 1.0 Sc Sc6 1 0.00000000 0.44358079 0.12944027 1.0 Sc Sc7 1 0.00000000 0.55706099 0.87012681 1.0 Tc Tc8 1 0.00000000 0.63876212 0.32026394 1.0 Tc Tc9 1 0.00000000 0.36071259 0.68069299 1.0 Tc Tc10 1 0.00000000 0.13843817 0.17912460 1.0 B B11 1 0.50000000 0.55269875 0.43465789 1.0 B B12 1 0.50000000 0.44690965 0.56533276 1.0 B B13 1 0.50000000 0.05282947 0.06476964 1.0 B B14 1 0.50000000 0.94638995 0.93450666 1.0 B B15 1 0.50000000 0.75243764 0.42106126 1.0 B B16 1 0.50000000 0.24747419 0.57908409 1.0 B B17 1 0.50000000 0.25323944 0.07892554 1.0 B B18 1 0.50000000 0.74837958 0.92069897 1.0 B B19 1 0.50000000 0.79442710 0.26405507 1.0 B B20 1 0.50000000 0.20529950 0.73690240 1.0 B B21 1 0.50000000 0.29440688 0.23606661 1.0 B B22 1 0.50000000 0.70653433 0.76374137 1.0 B B23 1 0.50000000 0.63003642 0.18242297 1.0 B B24 1 0.50000000 0.37046717 0.81794890 1.0 B B25 1 0.50000000 0.12954592 0.31737916 1.0 B B26 1 0.50000000 0.86997339 0.68278611 1.0 B B27 1 0.50000000 0.97886476 0.21209006 1.0 B B28 1 0.50000000 0.01997413 0.78813788 1.0 B B29 1 0.50000000 0.47900268 0.28766352 1.0 B B30 1 0.50000000 0.52124183 0.71214583 1.0 B B31 1 0.50000000 0.59985240 0.02711212 1.0 B B32 1 0.50000000 0.40205698 0.97272946 1.0 B B33 1 0.50000000 0.09863595 0.47298114 1.0 B B34 1 0.50000000 0.90071800 0.52774568 1.0 Ru Ru35 1 0.00000000 0.86093703 0.81993844 1.0