# generated using pymatgen data_Zr5Co16(P4Ru)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.76774235 _cell_length_b 11.76774324 _cell_length_c 3.63749158 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999476 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Co16(P4Ru)3 _chemical_formula_sum 'Zr5 Co16 P12 Ru3' _cell_volume 436.23347262 _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 Zr Zr0 1 0.66666700 0.33333300 0.00000000 1.0 Zr Zr1 1 0.33333300 0.66666700 0.00000000 1.0 Zr Zr2 1 0.82005476 0.82005476 0.50000000 1.0 Zr Zr3 1 0.17994524 0.00000000 0.50000000 1.0 Zr Zr4 1 0.00000000 0.17994524 0.50000000 1.0 Co Co5 1 0.19453294 0.37510595 0.00000000 1.0 Co Co6 1 0.18057301 0.80546706 0.00000000 1.0 Co Co7 1 0.81942699 0.62489405 0.00000000 1.0 Co Co8 1 0.80546706 0.18057301 0.00000000 1.0 Co Co9 1 0.37510595 0.19453294 0.00000000 1.0 Co Co10 1 0.12780866 0.48474152 0.50000000 1.0 Co Co11 1 0.35693286 0.87219134 0.50000000 1.0 Co Co12 1 0.51525848 0.64306714 0.50000000 1.0 Co Co13 1 0.64306714 0.51525848 0.50000000 1.0 Co Co14 1 0.87219134 0.35693286 0.50000000 1.0 Co Co15 1 0.48474152 0.12780866 0.50000000 1.0 Co Co16 1 0.00000000 0.00000000 0.00000000 1.0 Co Co17 1 0.71811291 0.00000000 0.50000000 1.0 Co Co18 1 0.00000000 0.71811291 0.50000000 1.0 Co Co19 1 0.62489405 0.81942699 0.00000000 1.0 Co Co20 1 0.28188709 0.28188709 0.50000000 1.0 P P21 1 0.64073213 0.64073213 0.00000000 1.0 P P22 1 0.35926787 1.00000000 0.00000000 1.0 P P23 1 1.00000000 0.35926787 0.00000000 1.0 P P24 1 0.48059793 0.31329686 0.50000000 1.0 P P25 1 0.68670314 0.16730207 0.50000000 1.0 P P26 1 0.83269793 0.51940207 0.50000000 1.0 P P27 1 0.51940207 0.83269793 0.50000000 1.0 P P28 1 0.16730207 0.68670314 0.50000000 1.0 P P29 1 0.82241129 0.00000000 0.00000000 1.0 P P30 1 0.00000000 0.82241129 0.00000000 1.0 P P31 1 0.31329686 0.48059793 0.50000000 1.0 P P32 1 0.17758871 0.17758871 0.00000000 1.0 Ru Ru33 1 0.44749006 0.44749006 0.00000000 1.0 Ru Ru34 1 0.55250994 1.00000000 0.00000000 1.0 Ru Ru35 1 1.00000000 0.55250994 0.00000000 1.0