# generated using pymatgen data_TbScAlB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51833868 _cell_length_b 9.05486462 _cell_length_c 11.42514892 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbScAlB6 _chemical_formula_sum 'Tb4 Sc4 Al4 B24' _cell_volume 363.98331326 _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 Tb Tb0 1 0.00000000 0.82050834 0.08609461 1.0 Tb Tb1 1 0.00000000 0.17949166 0.91390539 1.0 Tb Tb2 1 0.00000000 0.32050834 0.41390539 1.0 Tb Tb3 1 0.00000000 0.67949166 0.58609461 1.0 Sc Sc4 1 0.00000000 0.44478053 0.12786028 1.0 Sc Sc5 1 0.00000000 0.55521947 0.87213972 1.0 Sc Sc6 1 0.00000000 0.94478053 0.37213972 1.0 Sc Sc7 1 0.00000000 0.05521947 0.62786028 1.0 Al Al8 1 0.00000000 0.14198721 0.18170636 1.0 Al Al9 1 0.00000000 0.85801279 0.81829364 1.0 Al Al10 1 0.00000000 0.64198721 0.31829364 1.0 Al Al11 1 0.00000000 0.35801279 0.68170636 1.0 B B12 1 0.50000000 0.05202519 0.06527724 1.0 B B13 1 0.50000000 0.94797481 0.93472276 1.0 B B14 1 0.50000000 0.55202519 0.43472276 1.0 B B15 1 0.50000000 0.44797481 0.56527724 1.0 B B16 1 0.50000000 0.25540586 0.08123050 1.0 B B17 1 0.50000000 0.74459414 0.91876950 1.0 B B18 1 0.50000000 0.75540586 0.41876950 1.0 B B19 1 0.50000000 0.24459414 0.58123050 1.0 B B20 1 0.50000000 0.29827845 0.23621126 1.0 B B21 1 0.50000000 0.70172155 0.76378874 1.0 B B22 1 0.50000000 0.79827845 0.26378874 1.0 B B23 1 0.50000000 0.20172155 0.73621126 1.0 B B24 1 0.50000000 0.12922250 0.31879098 1.0 B B25 1 0.50000000 0.87077750 0.68120902 1.0 B B26 1 0.50000000 0.62922250 0.18120902 1.0 B B27 1 0.50000000 0.37077750 0.81879098 1.0 B B28 1 0.50000000 0.47962113 0.28552173 1.0 B B29 1 0.50000000 0.52037887 0.71447827 1.0 B B30 1 0.50000000 0.97962113 0.21447827 1.0 B B31 1 0.50000000 0.02037887 0.78552173 1.0 B B32 1 0.50000000 0.09761960 0.47348123 1.0 B B33 1 0.50000000 0.90238040 0.52651877 1.0 B B34 1 0.50000000 0.59761960 0.02651877 1.0 B B35 1 0.50000000 0.40238040 0.97348123 1.0