# generated using pymatgen data_ThSc2(BRh)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33132500 _cell_length_b 5.33132500 _cell_length_c 22.33802800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThSc2(BRh)12 _chemical_formula_sum 'Th2 Sc4 B24 Rh24' _cell_volume 634.91435634 _cell_formula_units_Z 2 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 Th Th0 1 0.00000000 0.00000000 0.33275400 1.0 Th Th1 1 0.00000000 0.00000000 0.66724600 1.0 Sc Sc2 1 0.50000000 0.50000000 0.83356800 1.0 Sc Sc3 1 0.50000000 0.50000000 0.16643200 1.0 Sc Sc4 1 0.50000000 0.50000000 0.50000000 1.0 Sc Sc5 1 0.00000000 0.00000000 0.00000000 1.0 B B6 1 0.32993400 0.00000000 0.88443200 1.0 B B7 1 0.33106900 0.00000000 0.21361400 1.0 B B8 1 0.33052800 0.00000000 0.54918000 1.0 B B9 1 0.67006600 0.00000000 0.88443200 1.0 B B10 1 0.66893100 0.00000000 0.21361400 1.0 B B11 1 0.66947200 0.00000000 0.54918000 1.0 B B12 1 0.50000000 0.83056800 0.04870500 1.0 B B13 1 0.50000000 0.83347700 0.38318200 1.0 B B14 1 0.50000000 0.83326700 0.71732300 1.0 B B15 1 0.50000000 0.16943200 0.04870500 1.0 B B16 1 0.50000000 0.16652300 0.38318200 1.0 B B17 1 0.50000000 0.16673300 0.71732300 1.0 B B18 1 0.16943200 0.50000000 0.95129500 1.0 B B19 1 0.16673300 0.50000000 0.28267700 1.0 B B20 1 0.16652300 0.50000000 0.61681800 1.0 B B21 1 0.83056800 0.50000000 0.95129500 1.0 B B22 1 0.83326700 0.50000000 0.28267700 1.0 B B23 1 0.83347700 0.50000000 0.61681800 1.0 B B24 1 0.00000000 0.66893100 0.78638600 1.0 B B25 1 0.00000000 0.67006600 0.11556800 1.0 B B26 1 0.00000000 0.66947200 0.45082000 1.0 B B27 1 0.00000000 0.33106900 0.78638600 1.0 B B28 1 0.00000000 0.32993400 0.11556800 1.0 B B29 1 0.00000000 0.33052800 0.45082000 1.0 Rh Rh30 1 0.74878100 0.00000000 0.78738700 1.0 Rh Rh31 1 0.75109100 0.00000000 0.11633600 1.0 Rh Rh32 1 0.74817700 0.00000000 0.45279800 1.0 Rh Rh33 1 0.25121900 0.00000000 0.78738700 1.0 Rh Rh34 1 0.24890900 0.00000000 0.11633600 1.0 Rh Rh35 1 0.25182300 0.00000000 0.45279800 1.0 Rh Rh36 1 0.50000000 0.25156300 0.95100700 1.0 Rh Rh37 1 0.50000000 0.25172300 0.28133800 1.0 Rh Rh38 1 0.50000000 0.25165200 0.61592400 1.0 Rh Rh39 1 0.50000000 0.74843700 0.95100700 1.0 Rh Rh40 1 0.50000000 0.74827700 0.28133800 1.0 Rh Rh41 1 0.50000000 0.74834800 0.61592400 1.0 Rh Rh42 1 0.74843700 0.50000000 0.04899300 1.0 Rh Rh43 1 0.74834800 0.50000000 0.38407600 1.0 Rh Rh44 1 0.74827700 0.50000000 0.71866200 1.0 Rh Rh45 1 0.25156300 0.50000000 0.04899300 1.0 Rh Rh46 1 0.25165200 0.50000000 0.38407600 1.0 Rh Rh47 1 0.25172300 0.50000000 0.71866200 1.0 Rh Rh48 1 0.00000000 0.24890900 0.88366400 1.0 Rh Rh49 1 0.00000000 0.25121900 0.21261300 1.0 Rh Rh50 1 0.00000000 0.25182300 0.54720200 1.0 Rh Rh51 1 0.00000000 0.75109100 0.88366400 1.0 Rh Rh52 1 0.00000000 0.74878100 0.21261300 1.0 Rh Rh53 1 0.00000000 0.74817700 0.54720200 1.0