# generated using pymatgen data_CePr4P12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.56743703 _cell_length_b 12.56743683 _cell_length_c 4.01141767 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000311 _symmetry_Int_Tables_number 1 _chemical_formula_structural CePr4P12Ru19 _chemical_formula_sum 'Ce1 Pr4 P12 Ru19' _cell_volume 548.68353718 _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 0.66666700 0.33333300 0.00000000 1.0 Pr Pr1 1 0.18421373 0.18440775 0.50000000 1.0 Pr Pr2 1 0.81559225 0.99980697 0.50000000 1.0 Pr Pr3 1 0.00019303 0.81578627 0.50000000 1.0 Pr Pr4 1 0.33333300 0.66666700 0.00000000 1.0 P P5 1 0.81162174 0.81117116 0.00000000 1.0 P P6 1 0.18882884 0.00045058 0.00000000 1.0 P P7 1 0.99954942 0.18837826 0.00000000 1.0 P P8 1 0.17083358 0.47510178 0.50000000 1.0 P P9 1 0.52489822 0.69573179 0.50000000 1.0 P P10 1 0.30426821 0.82916642 0.50000000 1.0 P P11 1 0.69621240 0.52389099 0.50000000 1.0 P P12 1 0.82767859 0.30378760 0.50000000 1.0 P P13 1 0.47610901 0.17232141 0.50000000 1.0 P P14 1 0.37478521 0.37567383 0.00000000 1.0 P P15 1 0.62432617 0.99911138 0.00000000 1.0 P P16 1 0.00088862 0.62521479 0.00000000 1.0 Ru Ru17 1 0.55463108 0.55394450 0.00000000 1.0 Ru Ru18 1 0.44605550 0.00068658 0.00000000 1.0 Ru Ru19 1 0.99931342 0.44536892 0.00000000 1.0 Ru Ru20 1 0.71465382 0.71376620 0.50000000 1.0 Ru Ru21 1 0.28623380 0.00088662 0.50000000 1.0 Ru Ru22 1 0.99911338 0.28534618 0.50000000 1.0 Ru Ru23 1 0.18374421 0.37857923 0.00000000 1.0 Ru Ru24 1 0.62142077 0.80516398 0.00000000 1.0 Ru Ru25 1 0.19483602 0.81625579 0.00000000 1.0 Ru Ru26 1 0.80485123 0.61898809 0.00000000 1.0 Ru Ru27 1 0.81413786 0.19514877 0.00000000 1.0 Ru Ru28 1 0.38101191 0.18586214 0.00000000 1.0 Ru Ru29 1 0.36771709 0.49123593 0.50000000 1.0 Ru Ru30 1 0.50876407 0.87648016 0.50000000 1.0 Ru Ru31 1 0.12351984 0.63228291 0.50000000 1.0 Ru Ru32 1 0.87288744 0.50497727 0.50000000 1.0 Ru Ru33 1 0.63208983 0.12711256 0.50000000 1.0 Ru Ru34 1 0.49502273 0.36791017 0.50000000 1.0 Ru Ru35 1 0.00000000 0.00000000 0.00000000 1.0