# generated using pymatgen data_SmTaReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58451907 _cell_length_b 8.95843203 _cell_length_c 11.35774130 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmTaReB6 _chemical_formula_sum 'Sm4 Ta4 Re4 B24' _cell_volume 364.71604576 _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 0.32331242 0.41446058 1.0 Sm Sm1 1 0.00000000 0.67668758 0.58553942 1.0 Sm Sm2 1 0.00000000 0.82331242 0.08553942 1.0 Sm Sm3 1 0.00000000 0.17668758 0.91446058 1.0 Ta Ta4 1 0.00000000 0.94642630 0.37591852 1.0 Ta Ta5 1 0.00000000 0.05357370 0.62408148 1.0 Ta Ta6 1 0.00000000 0.44642630 0.12408148 1.0 Ta Ta7 1 0.00000000 0.55357370 0.87591852 1.0 Re Re8 1 0.00000000 0.64547286 0.31550400 1.0 Re Re9 1 0.00000000 0.35452714 0.68449600 1.0 Re Re10 1 0.00000000 0.14547286 0.18449600 1.0 Re Re11 1 0.00000000 0.85452714 0.81550400 1.0 B B12 1 0.50000000 0.55643450 0.43153985 1.0 B B13 1 0.50000000 0.44356550 0.56846015 1.0 B B14 1 0.50000000 0.05643450 0.06846015 1.0 B B15 1 0.50000000 0.94356550 0.93153985 1.0 B B16 1 0.50000000 0.75590274 0.41659363 1.0 B B17 1 0.50000000 0.24409726 0.58340637 1.0 B B18 1 0.50000000 0.25590274 0.08340637 1.0 B B19 1 0.50000000 0.74409726 0.91659363 1.0 B B20 1 0.50000000 0.79815316 0.26355436 1.0 B B21 1 0.50000000 0.20184684 0.73644564 1.0 B B22 1 0.50000000 0.29815316 0.23644564 1.0 B B23 1 0.50000000 0.70184684 0.76355436 1.0 B B24 1 0.50000000 0.62935325 0.18135267 1.0 B B25 1 0.50000000 0.37064675 0.81864733 1.0 B B26 1 0.50000000 0.12935325 0.31864733 1.0 B B27 1 0.50000000 0.87064675 0.68135267 1.0 B B28 1 0.50000000 0.98320968 0.21460014 1.0 B B29 1 0.50000000 0.01679032 0.78539986 1.0 B B30 1 0.50000000 0.48320968 0.28539986 1.0 B B31 1 0.50000000 0.51679032 0.71460014 1.0 B B32 1 0.50000000 0.59812206 0.02586380 1.0 B B33 1 0.50000000 0.40187794 0.97413620 1.0 B B34 1 0.50000000 0.09812206 0.47413620 1.0 B B35 1 0.50000000 0.90187794 0.52586380 1.0