# generated using pymatgen data_Be17Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.76088474 _cell_length_b 9.76088556 _cell_length_c 9.76088582 _cell_angle_alpha 109.47123028 _cell_angle_beta 109.47122085 _cell_angle_gamma 109.47121162 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be17Ru3 _chemical_formula_sum 'Be68 Ru12' _cell_volume 715.88908738 _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 Be Be0 1 0.00000000 0.40266318 0.40266318 1.0 Be Be1 1 0.59733682 0.59733682 0.00000000 1.0 Be Be2 1 0.59733682 0.00000000 0.59733682 1.0 Be Be3 1 0.40266318 0.40266318 -0.00000000 1.0 Be Be4 1 0.40266318 -0.00000000 0.40266318 1.0 Be Be5 1 -0.00000000 0.59733682 0.59733682 1.0 Be Be6 1 0.50000000 0.69365853 0.19365853 1.0 Be Be7 1 0.30634147 0.80634147 0.50000000 1.0 Be Be8 1 0.80634147 0.50000000 0.30634147 1.0 Be Be9 1 0.69365853 0.19365853 0.50000000 1.0 Be Be10 1 0.19365853 0.50000000 0.69365853 1.0 Be Be11 1 0.50000000 0.30634147 0.80634147 1.0 Be Be12 1 0.33111309 0.33111309 0.33111209 1.0 Be Be13 1 0.00000000 0.66888691 -0.00000000 1.0 Be Be14 1 -0.00000000 -0.00000000 0.66888791 1.0 Be Be15 1 0.66888691 0.00000000 0.00000000 1.0 Be Be16 1 0.66888691 0.66888691 0.66888791 1.0 Be Be17 1 -0.00000000 0.33111309 0.00000000 1.0 Be Be18 1 0.00000000 0.00000000 0.33111209 1.0 Be Be19 1 0.33111309 -0.00000000 -0.00000000 1.0 Be Be20 1 0.32381643 0.09337525 0.23044218 1.0 Be Be21 1 0.09337525 0.76955782 0.86293208 1.0 Be Be22 1 0.23044218 0.13706692 0.90662475 1.0 Be Be23 1 0.90662475 0.76955782 0.67618357 1.0 Be Be24 1 0.76955782 0.86293308 0.09337525 1.0 Be Be25 1 0.90662475 0.23044218 0.13706692 1.0 Be Be26 1 0.76955782 0.67618357 0.90662475 1.0 Be Be27 1 0.23044218 0.32381643 0.09337525 1.0 Be Be28 1 0.09337525 0.23044218 0.32381643 1.0 Be Be29 1 0.86293308 0.09337525 0.76955782 1.0 Be Be30 1 0.13706692 0.90662475 0.23044218 1.0 Be Be31 1 0.67618357 0.90662475 0.76955782 1.0 Be Be32 1 0.75310759 0.34835092 0.40475666 1.0 Be Be33 1 0.34835092 0.59524334 0.94359426 1.0 Be Be34 1 0.40475666 0.05640574 0.65164908 1.0 Be Be35 1 0.65164908 0.59524334 0.24689241 1.0 Be Be36 1 0.59524334 0.94359426 0.34835092 1.0 Be Be37 1 0.65164908 0.40475666 0.05640574 1.0 Be Be38 1 0.59524334 0.24689241 0.65164908 1.0 Be Be39 1 0.40475666 0.75310759 0.34835092 1.0 Be Be40 1 0.34835092 0.40475666 0.75310759 1.0 Be Be41 1 0.94359426 0.34835092 0.59524334 1.0 Be Be42 1 0.05640574 0.65164908 0.40475666 1.0 Be Be43 1 0.24689241 0.65164908 0.59524334 1.0 Be Be44 1 0.45548778 0.54274199 0.31561622 1.0 Be Be45 1 0.13987056 0.68438378 0.22712578 1.0 Be Be46 1 0.91274679 0.77287422 0.45725801 1.0 Be Be47 1 0.86012944 0.08725421 0.54451222 1.0 Be Be48 1 0.68438378 0.22712578 0.13987156 1.0 Be Be49 1 0.45725801 0.91274579 0.77287422 1.0 Be Be50 1 0.08725321 0.54451222 0.86012844 1.0 Be Be51 1 0.31561622 0.45548778 0.54274199 1.0 Be Be52 1 0.54274199 0.31561622 0.45548778 1.0 Be Be53 1 0.22712578 0.13987056 0.68438378 1.0 Be Be54 1 0.77287422 0.45725801 0.91274679 1.0 Be Be55 1 0.54451222 0.86012944 0.08725321 1.0 Be Be56 1 0.54451222 0.45725801 0.68438378 1.0 Be Be57 1 0.86012944 0.31561622 0.77287422 1.0 Be Be58 1 0.08725321 0.22712578 0.54274199 1.0 Be Be59 1 0.13987056 0.91274579 0.45548778 1.0 Be Be60 1 0.31561622 0.77287422 0.86012844 1.0 Be Be61 1 0.54274199 0.08725421 0.22712578 1.0 Be Be62 1 0.91274679 0.45548778 0.13987156 1.0 Be Be63 1 0.68438378 0.54451222 0.45725801 1.0 Be Be64 1 0.45725801 0.68438378 0.54451222 1.0 Be Be65 1 0.77287422 0.86012944 0.31561622 1.0 Be Be66 1 0.22712578 0.54274199 0.08725321 1.0 Be Be67 1 0.45548778 0.13987056 0.91274679 1.0 Ru Ru68 1 0.49002108 0.30160714 0.18841294 1.0 Ru Ru69 1 0.30160714 0.81158706 0.11319421 1.0 Ru Ru70 1 0.18841294 0.88680579 0.69839286 1.0 Ru Ru71 1 0.69839286 0.81158706 0.50997892 1.0 Ru Ru72 1 0.81158706 0.11319421 0.30160714 1.0 Ru Ru73 1 0.69839286 0.18841294 0.88680579 1.0 Ru Ru74 1 0.81158706 0.50997892 0.69839286 1.0 Ru Ru75 1 0.18841294 0.49002108 0.30160714 1.0 Ru Ru76 1 0.30160714 0.18841294 0.49002108 1.0 Ru Ru77 1 0.11319421 0.30160714 0.81158706 1.0 Ru Ru78 1 0.88680579 0.69839286 0.18841294 1.0 Ru Ru79 1 0.50997892 0.69839286 0.81158706 1.0