# generated using pymatgen data_Ce3Pr2P12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.54731152 _cell_length_b 12.54797111 _cell_length_c 3.99344363 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00173764 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3Pr2P12Ru19 _chemical_formula_sum 'Ce3 Pr2 P12 Ru19' _cell_volume 544.49610307 _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 Ce Ce0 1 1.00000000 0.81727893 0.50000000 1.0 Ce Ce1 1 0.33307458 0.66645513 0.00000000 1.0 Ce Ce2 1 0.66692542 0.33337955 0.00000000 1.0 Pr Pr3 1 0.18682910 0.18684592 0.50000000 1.0 Pr Pr4 1 0.81317090 0.00001682 0.50000000 1.0 P P5 1 0.81140152 0.81195816 0.00000000 1.0 P P6 1 0.18859848 0.00055764 0.00000000 1.0 P P7 1 1.00000000 0.18791665 0.00000000 1.0 P P8 1 0.17277358 0.47579406 0.50000000 1.0 P P9 1 0.52411282 0.69661011 0.50000000 1.0 P P10 1 0.30279008 0.82734005 0.50000000 1.0 P P11 1 0.69720992 0.52454897 0.50000000 1.0 P P12 1 0.82722642 0.30302148 0.50000000 1.0 P P13 1 0.47588718 0.17249629 0.50000000 1.0 P P14 1 0.37593364 0.37565225 0.00000000 1.0 P P15 1 0.62406636 0.99971861 0.00000000 1.0 P P16 1 0.00000000 0.62555324 0.00000000 1.0 Ru Ru17 1 0.55635439 0.55423484 0.00000000 1.0 Ru Ru18 1 0.44364561 0.99788044 0.00000000 1.0 Ru Ru19 1 1.00000000 0.44596858 0.00000000 1.0 Ru Ru20 1 0.71557553 0.71461532 0.50000000 1.0 Ru Ru21 1 0.28442447 0.99903980 0.50000000 1.0 Ru Ru22 1 1.00000000 0.28528897 0.50000000 1.0 Ru Ru23 1 0.18529734 0.38090059 0.00000000 1.0 Ru Ru24 1 0.61897040 0.80371493 0.00000000 1.0 Ru Ru25 1 0.19149889 0.81497571 0.00000000 1.0 Ru Ru26 1 0.80850111 0.62347682 0.00000000 1.0 Ru Ru27 1 0.81470266 0.19560324 0.00000000 1.0 Ru Ru28 1 0.38102960 0.18474453 0.00000000 1.0 Ru Ru29 1 0.36967814 0.49458812 0.50000000 1.0 Ru Ru30 1 0.50461878 0.87318178 0.50000000 1.0 Ru Ru31 1 0.12587111 0.63173047 0.50000000 1.0 Ru Ru32 1 0.87412889 0.50585936 0.50000000 1.0 Ru Ru33 1 0.63032186 0.12490998 0.50000000 1.0 Ru Ru34 1 0.49538122 0.36856200 0.50000000 1.0 Ru Ru35 1 0.00000000 0.99557965 0.00000000 1.0