# generated using pymatgen data_HfZr5(B2Ru5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.50212153 _cell_length_b 9.50212153 _cell_length_c 3.12035085 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr5(B2Ru5)2 _chemical_formula_sum 'Hf1 Zr5 B4 Ru10' _cell_volume 281.73745650 _cell_formula_units_Z 1 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 Hf Hf0 1 0.00000000 0.00000000 0.00000000 1.0 Zr Zr1 1 0.82580370 0.67605302 0.00000000 1.0 Zr Zr2 1 0.17419630 0.32394698 0.00000000 1.0 Zr Zr3 1 0.32394698 0.82580370 0.00000000 1.0 Zr Zr4 1 0.67605302 0.17419630 0.00000000 1.0 Zr Zr5 1 0.50000000 0.50000000 0.00000000 1.0 B B6 1 0.62216782 0.87893889 0.00000000 1.0 B B7 1 0.37783218 0.12106111 0.00000000 1.0 B B8 1 0.12106111 0.62216782 0.00000000 1.0 B B9 1 0.87893889 0.37783218 0.00000000 1.0 Ru Ru10 1 0.57247535 0.72105117 0.50000000 1.0 Ru Ru11 1 0.42752465 0.27894883 0.50000000 1.0 Ru Ru12 1 0.07168008 0.77957334 0.50000000 1.0 Ru Ru13 1 0.92831992 0.22042666 0.50000000 1.0 Ru Ru14 1 0.27894883 0.57247535 0.50000000 1.0 Ru Ru15 1 0.72105117 0.42752465 0.50000000 1.0 Ru Ru16 1 0.22042666 0.07168008 0.50000000 1.0 Ru Ru17 1 0.77957334 0.92831992 0.50000000 1.0 Ru Ru18 1 0.50000000 0.00000000 0.50000000 1.0 Ru Ru19 1 0.00000000 0.50000000 0.50000000 1.0