# generated using pymatgen data_TbScCrB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48415780 _cell_length_b 9.01820471 _cell_length_c 11.38848183 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbScCrB6 _chemical_formula_sum 'Tb4 Sc4 Cr4 B24' _cell_volume 357.83575968 _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 0.82230379 0.08503153 1.0 Tb Tb1 1 0.00000000 0.17769621 0.91496847 1.0 Tb Tb2 1 0.00000000 0.32230379 0.41496847 1.0 Tb Tb3 1 0.00000000 0.67769621 0.58503153 1.0 Sc Sc4 1 0.00000000 0.44351302 0.13015396 1.0 Sc Sc5 1 0.00000000 0.55648698 0.86984604 1.0 Sc Sc6 1 0.00000000 0.94351302 0.36984604 1.0 Sc Sc7 1 0.00000000 0.05648698 0.63015396 1.0 Cr Cr8 1 0.00000000 0.14189508 0.18212877 1.0 Cr Cr9 1 0.00000000 0.85810492 0.81787123 1.0 Cr Cr10 1 0.00000000 0.64189508 0.31787123 1.0 Cr Cr11 1 0.00000000 0.35810492 0.68212877 1.0 B B12 1 0.50000000 0.05527777 0.06841350 1.0 B B13 1 0.50000000 0.94472223 0.93158650 1.0 B B14 1 0.50000000 0.55527777 0.43158650 1.0 B B15 1 0.50000000 0.44472223 0.56841350 1.0 B B16 1 0.50000000 0.25308676 0.08306636 1.0 B B17 1 0.50000000 0.74691324 0.91693364 1.0 B B18 1 0.50000000 0.75308676 0.41693364 1.0 B B19 1 0.50000000 0.24691324 0.58306636 1.0 B B20 1 0.50000000 0.29424581 0.23547195 1.0 B B21 1 0.50000000 0.70575419 0.76452805 1.0 B B22 1 0.50000000 0.79424581 0.26452805 1.0 B B23 1 0.50000000 0.20575419 0.73547195 1.0 B B24 1 0.50000000 0.12942007 0.31655839 1.0 B B25 1 0.50000000 0.87057993 0.68344161 1.0 B B26 1 0.50000000 0.62942007 0.18344161 1.0 B B27 1 0.50000000 0.37057993 0.81655839 1.0 B B28 1 0.50000000 0.48304853 0.28612787 1.0 B B29 1 0.50000000 0.51695147 0.71387213 1.0 B B30 1 0.50000000 0.98304853 0.21387213 1.0 B B31 1 0.50000000 0.01695147 0.78612787 1.0 B B32 1 0.50000000 0.09648635 0.47391304 1.0 B B33 1 0.50000000 0.90351365 0.52608696 1.0 B B34 1 0.50000000 0.59648635 0.02608696 1.0 B B35 1 0.50000000 0.40351365 0.97391304 1.0