# generated using pymatgen data_HoPuReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69084302 _cell_length_b 9.15214056 _cell_length_c 11.52398892 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoPuReB6 _chemical_formula_sum 'Ho4 Pu4 Re4 B24' _cell_volume 389.27013682 _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 Ho Ho0 1 0.00000000 0.94401396 0.37287341 1.0 Ho Ho1 1 0.00000000 0.05598604 0.62712659 1.0 Ho Ho2 1 0.00000000 0.44401396 0.12712659 1.0 Ho Ho3 1 0.00000000 0.55598604 0.87287341 1.0 Pu Pu4 1 0.00000000 0.32142341 0.41422557 1.0 Pu Pu5 1 0.00000000 0.67857659 0.58577443 1.0 Pu Pu6 1 0.00000000 0.82142341 0.08577443 1.0 Pu Pu7 1 0.00000000 0.17857659 0.91422557 1.0 Re Re8 1 0.00000000 0.63846726 0.32076122 1.0 Re Re9 1 0.00000000 0.36153274 0.67923878 1.0 Re Re10 1 0.00000000 0.13846726 0.17923878 1.0 Re Re11 1 0.00000000 0.86153274 0.82076122 1.0 B B12 1 0.50000000 0.55355072 0.43284836 1.0 B B13 1 0.50000000 0.44644928 0.56715164 1.0 B B14 1 0.50000000 0.05355072 0.06715164 1.0 B B15 1 0.50000000 0.94644928 0.93284836 1.0 B B16 1 0.50000000 0.74821554 0.41905504 1.0 B B17 1 0.50000000 0.25178446 0.58094496 1.0 B B18 1 0.50000000 0.24821554 0.08094496 1.0 B B19 1 0.50000000 0.75178446 0.91905504 1.0 B B20 1 0.50000000 0.79251705 0.26568139 1.0 B B21 1 0.50000000 0.20748295 0.73431861 1.0 B B22 1 0.50000000 0.29251705 0.23431861 1.0 B B23 1 0.50000000 0.70748295 0.76568139 1.0 B B24 1 0.50000000 0.63236076 0.18549361 1.0 B B25 1 0.50000000 0.36763924 0.81450639 1.0 B B26 1 0.50000000 0.13236076 0.31450639 1.0 B B27 1 0.50000000 0.86763924 0.68549361 1.0 B B28 1 0.50000000 0.98276752 0.21306228 1.0 B B29 1 0.50000000 0.01723248 0.78693772 1.0 B B30 1 0.50000000 0.48276752 0.28693772 1.0 B B31 1 0.50000000 0.51723248 0.71306228 1.0 B B32 1 0.50000000 0.60662038 0.02958440 1.0 B B33 1 0.50000000 0.39337962 0.97041560 1.0 B B34 1 0.50000000 0.10662038 0.47041560 1.0 B B35 1 0.50000000 0.89337962 0.52958440 1.0