# generated using pymatgen data_TbTaCrB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39779352 _cell_length_b 8.93941038 _cell_length_c 11.28332559 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbTaCrB6 _chemical_formula_sum 'Tb4 Ta4 Cr4 B24' _cell_volume 342.72278549 _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 0.82259921 0.08529086 1.0 Tb Tb1 1 0.00000000 0.17740079 0.91470914 1.0 Tb Tb2 1 0.00000000 0.32259921 0.41470914 1.0 Tb Tb3 1 0.00000000 0.67740079 0.58529086 1.0 Ta Ta4 1 0.00000000 0.44631313 0.12695895 1.0 Ta Ta5 1 0.00000000 0.55368687 0.87304105 1.0 Ta Ta6 1 0.00000000 0.94631313 0.37304105 1.0 Ta Ta7 1 0.00000000 0.05368687 0.62695895 1.0 Cr Cr8 1 0.00000000 0.14460304 0.18414012 1.0 Cr Cr9 1 0.00000000 0.85539696 0.81585988 1.0 Cr Cr10 1 0.00000000 0.64460304 0.31585988 1.0 Cr Cr11 1 0.00000000 0.35539696 0.68414012 1.0 B B12 1 0.50000000 0.05547246 0.06822747 1.0 B B13 1 0.50000000 0.94452754 0.93177253 1.0 B B14 1 0.50000000 0.55547246 0.43177253 1.0 B B15 1 0.50000000 0.44452754 0.56822747 1.0 B B16 1 0.50000000 0.25456807 0.08281691 1.0 B B17 1 0.50000000 0.74543193 0.91718309 1.0 B B18 1 0.50000000 0.75456807 0.41718309 1.0 B B19 1 0.50000000 0.24543193 0.58281691 1.0 B B20 1 0.50000000 0.29765065 0.23613636 1.0 B B21 1 0.50000000 0.70234935 0.76386364 1.0 B B22 1 0.50000000 0.79765065 0.26386364 1.0 B B23 1 0.50000000 0.20234935 0.73613636 1.0 B B24 1 0.50000000 0.12996956 0.31810809 1.0 B B25 1 0.50000000 0.87003044 0.68189191 1.0 B B26 1 0.50000000 0.62996956 0.18189191 1.0 B B27 1 0.50000000 0.37003044 0.81810809 1.0 B B28 1 0.50000000 0.48259378 0.28594722 1.0 B B29 1 0.50000000 0.51740622 0.71405278 1.0 B B30 1 0.50000000 0.98259378 0.21405278 1.0 B B31 1 0.50000000 0.01740622 0.78594722 1.0 B B32 1 0.50000000 0.09915884 0.47398137 1.0 B B33 1 0.50000000 0.90084116 0.52601863 1.0 B B34 1 0.50000000 0.59915884 0.02601863 1.0 B B35 1 0.50000000 0.40084116 0.97398137 1.0