# generated using pymatgen data_SmZrReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64097353 _cell_length_b 9.07500506 _cell_length_c 11.49777477 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmZrReB6 _chemical_formula_sum 'Sm4 Zr4 Re4 B24' _cell_volume 379.90778609 _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 Sm Sm0 1 0.00000000 0.32227117 0.41418071 1.0 Sm Sm1 1 0.00000000 0.67772883 0.58581929 1.0 Sm Sm2 1 0.00000000 0.82227117 0.08581929 1.0 Sm Sm3 1 0.00000000 0.17772883 0.91418071 1.0 Zr Zr4 1 0.00000000 0.94538850 0.37215811 1.0 Zr Zr5 1 0.00000000 0.05461150 0.62784189 1.0 Zr Zr6 1 0.00000000 0.44538850 0.12784189 1.0 Zr Zr7 1 0.00000000 0.55461150 0.87215811 1.0 Re Re8 1 0.00000000 0.64151142 0.31715625 1.0 Re Re9 1 0.00000000 0.35848858 0.68284375 1.0 Re Re10 1 0.00000000 0.14151142 0.18284375 1.0 Re Re11 1 0.00000000 0.85848858 0.81715625 1.0 B B12 1 0.50000000 0.55556433 0.43119520 1.0 B B13 1 0.50000000 0.44443567 0.56880480 1.0 B B14 1 0.50000000 0.05556433 0.06880480 1.0 B B15 1 0.50000000 0.94443567 0.93119520 1.0 B B16 1 0.50000000 0.75234576 0.41640489 1.0 B B17 1 0.50000000 0.24765424 0.58359511 1.0 B B18 1 0.50000000 0.25234576 0.08359511 1.0 B B19 1 0.50000000 0.74765424 0.91640489 1.0 B B20 1 0.50000000 0.79451960 0.26486246 1.0 B B21 1 0.50000000 0.20548040 0.73513754 1.0 B B22 1 0.50000000 0.29451960 0.23513754 1.0 B B23 1 0.50000000 0.70548040 0.76486246 1.0 B B24 1 0.50000000 0.63010602 0.18360665 1.0 B B25 1 0.50000000 0.36989398 0.81639335 1.0 B B26 1 0.50000000 0.13010602 0.31639335 1.0 B B27 1 0.50000000 0.86989398 0.68360665 1.0 B B28 1 0.50000000 0.98344629 0.21427657 1.0 B B29 1 0.50000000 0.01655371 0.78572343 1.0 B B30 1 0.50000000 0.48344629 0.28572343 1.0 B B31 1 0.50000000 0.51655371 0.71427657 1.0 B B32 1 0.50000000 0.59946257 0.02639196 1.0 B B33 1 0.50000000 0.40053743 0.97360804 1.0 B B34 1 0.50000000 0.09946257 0.47360804 1.0 B B35 1 0.50000000 0.90053743 0.52639196 1.0