# generated using pymatgen data_YbScReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51969957 _cell_length_b 9.06106295 _cell_length_c 11.39844623 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbScReB6 _chemical_formula_sum 'Yb4 Sc4 Re4 B24' _cell_volume 363.52174739 _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 Yb Yb0 1 0.00000000 0.32414177 0.41480807 1.0 Yb Yb1 1 0.00000000 0.67585823 0.58519193 1.0 Yb Yb2 1 0.00000000 0.82414177 0.08519193 1.0 Yb Yb3 1 0.00000000 0.17585823 0.91480807 1.0 Sc Sc4 1 0.00000000 0.94346771 0.36682029 1.0 Sc Sc5 1 0.00000000 0.05653229 0.63317971 1.0 Sc Sc6 1 0.00000000 0.44346771 0.13317971 1.0 Sc Sc7 1 0.00000000 0.55653229 0.86682029 1.0 Re Re8 1 0.00000000 0.64336612 0.31784593 1.0 Re Re9 1 0.00000000 0.35663388 0.68215407 1.0 Re Re10 1 0.00000000 0.14336612 0.18215407 1.0 Re Re11 1 0.00000000 0.85663388 0.81784593 1.0 B B12 1 0.50000000 0.55433871 0.43310706 1.0 B B13 1 0.50000000 0.44566129 0.56689294 1.0 B B14 1 0.50000000 0.05433871 0.06689294 1.0 B B15 1 0.50000000 0.94566129 0.93310706 1.0 B B16 1 0.50000000 0.75527933 0.41877881 1.0 B B17 1 0.50000000 0.24472067 0.58122119 1.0 B B18 1 0.50000000 0.25527933 0.08122119 1.0 B B19 1 0.50000000 0.74472067 0.91877881 1.0 B B20 1 0.50000000 0.79682052 0.26253870 1.0 B B21 1 0.50000000 0.20317948 0.73746130 1.0 B B22 1 0.50000000 0.29682052 0.23746130 1.0 B B23 1 0.50000000 0.70317948 0.76253870 1.0 B B24 1 0.50000000 0.63038142 0.18158862 1.0 B B25 1 0.50000000 0.36961858 0.81841138 1.0 B B26 1 0.50000000 0.13038142 0.31841138 1.0 B B27 1 0.50000000 0.86961858 0.68158862 1.0 B B28 1 0.50000000 0.98134639 0.21267944 1.0 B B29 1 0.50000000 0.01865361 0.78732056 1.0 B B30 1 0.50000000 0.48134639 0.28732056 1.0 B B31 1 0.50000000 0.51865361 0.71267944 1.0 B B32 1 0.50000000 0.59238434 0.02478886 1.0 B B33 1 0.50000000 0.40761566 0.97521114 1.0 B B34 1 0.50000000 0.09238434 0.47521114 1.0 B B35 1 0.50000000 0.90761566 0.52478886 1.0