# generated using pymatgen data_YbSc3(ReB6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50734455 _cell_length_b 8.99207023 _cell_length_c 11.30506809 _cell_angle_alpha 89.98130582 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbSc3(ReB6)2 _chemical_formula_sum 'Yb2 Sc6 Re4 B24' _cell_volume 356.54248040 _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 Yb Yb0 1 0.00000000 0.32255914 0.41378147 1.0 Yb Yb1 1 0.00000000 0.67744086 0.58621853 1.0 Sc Sc2 1 0.00000000 0.82348102 0.08518838 1.0 Sc Sc3 1 0.00000000 0.17651898 0.91481162 1.0 Sc Sc4 1 0.00000000 0.94409547 0.36757976 1.0 Sc Sc5 1 0.00000000 0.05590453 0.63242024 1.0 Sc Sc6 1 0.00000000 0.44409475 0.12868682 1.0 Sc Sc7 1 0.00000000 0.55590525 0.87131318 1.0 Re Re8 1 0.00000000 0.64383738 0.31621426 1.0 Re Re9 1 0.00000000 0.35616262 0.68378574 1.0 Re Re10 1 0.00000000 0.13940176 0.17835784 1.0 Re Re11 1 0.00000000 0.86059824 0.82164216 1.0 B B12 1 0.50000000 0.55379588 0.43223647 1.0 B B13 1 0.50000000 0.44620412 0.56776353 1.0 B B14 1 0.50000000 0.05369509 0.06408593 1.0 B B15 1 0.50000000 0.94630491 0.93591407 1.0 B B16 1 0.50000000 0.75539252 0.41845968 1.0 B B17 1 0.50000000 0.24460748 0.58154032 1.0 B B18 1 0.50000000 0.25370130 0.07784683 1.0 B B19 1 0.50000000 0.74629870 0.92215317 1.0 B B20 1 0.50000000 0.79755575 0.26030819 1.0 B B21 1 0.50000000 0.20244425 0.73969181 1.0 B B22 1 0.50000000 0.29519737 0.23426569 1.0 B B23 1 0.50000000 0.70480263 0.76573431 1.0 B B24 1 0.50000000 0.63128494 0.17963783 1.0 B B25 1 0.50000000 0.36871506 0.82036217 1.0 B B26 1 0.50000000 0.12979839 0.31605365 1.0 B B27 1 0.50000000 0.87020161 0.68394635 1.0 B B28 1 0.50000000 0.98020167 0.21037749 1.0 B B29 1 0.50000000 0.01979833 0.78962251 1.0 B B30 1 0.50000000 0.48076031 0.28535338 1.0 B B31 1 0.50000000 0.51923969 0.71464662 1.0 B B32 1 0.50000000 0.59710209 0.02629378 1.0 B B33 1 0.50000000 0.40289791 0.97370622 1.0 B B34 1 0.50000000 0.09326774 0.47441420 1.0 B B35 1 0.50000000 0.90673226 0.52558580 1.0