# generated using pymatgen data_Nb5Co17(P6Ru)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.67530944 _cell_length_b 11.63346623 _cell_length_c 3.58646464 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.88150843 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb5Co17(P6Ru)2 _chemical_formula_sum 'Nb5 Co17 P12 Ru2' _cell_volume 422.36899384 _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 Nb Nb0 1 0.66592532 0.33338398 0.00000000 1.0 Nb Nb1 1 0.33407468 0.66745965 0.00000000 1.0 Nb Nb2 1 0.17642185 0.17864216 0.50000000 1.0 Nb Nb3 1 0.82357815 0.00222032 0.50000000 1.0 Nb Nb4 1 1.00000000 0.82119018 0.50000000 1.0 Co Co5 1 0.00000000 0.44776010 0.00000000 1.0 Co Co6 1 0.82093850 0.19671083 0.00000000 1.0 Co Co7 1 0.80758314 0.62530009 0.00000000 1.0 Co Co8 1 0.37330581 0.18091864 0.00000000 1.0 Co Co9 1 0.19241686 0.81771695 0.00000000 1.0 Co Co10 1 0.62669419 0.80761183 0.00000000 1.0 Co Co11 1 0.17906150 0.37577133 0.00000000 1.0 Co Co12 1 0.64373067 0.12779142 0.50000000 1.0 Co Co13 1 0.87493611 0.51597663 0.50000000 1.0 Co Co14 1 0.48523350 0.35594358 0.50000000 1.0 Co Co15 1 0.12506389 0.64104052 0.50000000 1.0 Co Co16 1 0.51476650 0.87070908 0.50000000 1.0 Co Co17 1 0.35626933 0.48406075 0.50000000 1.0 Co Co18 1 0.72122558 0.72039604 0.50000000 1.0 Co Co19 1 0.27877442 0.99917146 0.50000000 1.0 Co Co20 1 1.00000000 0.28288591 0.50000000 1.0 Co Co21 1 1.00000000 0.00047148 0.00000000 1.0 P P22 1 0.35644508 0.35786346 0.00000000 1.0 P P23 1 0.64355492 0.00141838 0.00000000 1.0 P P24 1 1.00000000 0.63817705 0.00000000 1.0 P P25 1 0.83145755 0.31461120 0.50000000 1.0 P P26 1 0.68683542 0.51732486 0.50000000 1.0 P P27 1 0.48163019 0.16675308 0.50000000 1.0 P P28 1 0.31316458 0.83048945 0.50000000 1.0 P P29 1 0.51836981 0.68512289 0.50000000 1.0 P P30 1 0.16854245 0.48315265 0.50000000 1.0 P P31 1 0.82360176 0.82345040 0.00000000 1.0 P P32 1 0.17639824 0.99984764 0.00000000 1.0 P P33 1 1.00000000 0.17808668 0.00000000 1.0 Ru Ru34 1 0.55233233 0.55145083 0.00000000 1.0 Ru Ru35 1 0.44766767 0.99911850 0.00000000 1.0