# generated using pymatgen data_TmPuReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67409200 _cell_length_b 9.11757738 _cell_length_c 11.49570790 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmPuReB6 _chemical_formula_sum 'Tm4 Pu4 Re4 B24' _cell_volume 385.09262814 _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 Tm Tm0 1 0.00000000 0.94392601 0.37261497 1.0 Tm Tm1 1 0.00000000 0.05607399 0.62738503 1.0 Tm Tm2 1 0.00000000 0.44392601 0.12738503 1.0 Tm Tm3 1 0.00000000 0.55607399 0.87261497 1.0 Pu Pu4 1 0.00000000 0.32094020 0.41400508 1.0 Pu Pu5 1 0.00000000 0.67905980 0.58599492 1.0 Pu Pu6 1 0.00000000 0.82094020 0.08599492 1.0 Pu Pu7 1 0.00000000 0.17905980 0.91400508 1.0 Re Re8 1 0.00000000 0.63901227 0.32026375 1.0 Re Re9 1 0.00000000 0.36098773 0.67973625 1.0 Re Re10 1 0.00000000 0.13901227 0.17973625 1.0 Re Re11 1 0.00000000 0.86098773 0.82026375 1.0 B B12 1 0.50000000 0.55385392 0.43282277 1.0 B B13 1 0.50000000 0.44614608 0.56717723 1.0 B B14 1 0.50000000 0.05385392 0.06717723 1.0 B B15 1 0.50000000 0.94614608 0.93282277 1.0 B B16 1 0.50000000 0.74927055 0.41896398 1.0 B B17 1 0.50000000 0.25072945 0.58103602 1.0 B B18 1 0.50000000 0.24927055 0.08103602 1.0 B B19 1 0.50000000 0.75072945 0.91896398 1.0 B B20 1 0.50000000 0.79295971 0.26555313 1.0 B B21 1 0.50000000 0.20704029 0.73444687 1.0 B B22 1 0.50000000 0.29295971 0.23444687 1.0 B B23 1 0.50000000 0.70704029 0.76555313 1.0 B B24 1 0.50000000 0.63171436 0.18506426 1.0 B B25 1 0.50000000 0.36828564 0.81493574 1.0 B B26 1 0.50000000 0.13171436 0.31493574 1.0 B B27 1 0.50000000 0.86828564 0.68506426 1.0 B B28 1 0.50000000 0.98255001 0.21330428 1.0 B B29 1 0.50000000 0.01744999 0.78669572 1.0 B B30 1 0.50000000 0.48255001 0.28669572 1.0 B B31 1 0.50000000 0.51744999 0.71330428 1.0 B B32 1 0.50000000 0.60375383 0.02872848 1.0 B B33 1 0.50000000 0.39624617 0.97127152 1.0 B B34 1 0.50000000 0.10375383 0.47127152 1.0 B B35 1 0.50000000 0.89624617 0.52872848 1.0