# generated using pymatgen data_Tb2Pr3P12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.52689635 _cell_length_b 12.52689677 _cell_length_c 4.00224091 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000146 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2Pr3P12Ru19 _chemical_formula_sum 'Tb2 Pr3 P12 Ru19' _cell_volume 543.90222425 _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 Tb Tb0 1 0.33333300 0.66666700 0.00000000 1.0 Tb Tb1 1 0.66666700 0.33333300 0.00000000 1.0 Pr Pr2 1 0.18416324 0.18416324 0.50000000 1.0 Pr Pr3 1 0.81583676 0.00000000 0.50000000 1.0 Pr Pr4 1 0.00000000 0.81583676 0.50000000 1.0 P P5 1 0.81050014 0.81050014 0.00000000 1.0 P P6 1 0.18949986 0.00000000 0.00000000 1.0 P P7 1 0.00000000 0.18949986 0.00000000 1.0 P P8 1 0.17407685 0.47803055 0.50000000 1.0 P P9 1 0.52196945 0.69604630 0.50000000 1.0 P P10 1 0.30395370 0.82592315 0.50000000 1.0 P P11 1 0.69604630 0.52196945 0.50000000 1.0 P P12 1 0.82592315 0.30395370 0.50000000 1.0 P P13 1 0.47803055 0.17407685 0.50000000 1.0 P P14 1 0.37481108 0.37481108 0.00000000 1.0 P P15 1 0.62518892 0.00000000 0.00000000 1.0 P P16 1 0.00000000 0.62518892 0.00000000 1.0 Ru Ru17 1 0.55374566 0.55374566 0.00000000 1.0 Ru Ru18 1 0.44625434 0.00000000 0.00000000 1.0 Ru Ru19 1 0.00000000 0.44625434 0.00000000 1.0 Ru Ru20 1 0.71256929 0.71256929 0.50000000 1.0 Ru Ru21 1 0.28743071 0.00000000 0.50000000 1.0 Ru Ru22 1 0.00000000 0.28743071 0.50000000 1.0 Ru Ru23 1 0.18552214 0.38149822 0.00000000 1.0 Ru Ru24 1 0.61850178 0.80402392 0.00000000 1.0 Ru Ru25 1 0.19597608 0.81447786 0.00000000 1.0 Ru Ru26 1 0.80402392 0.61850178 0.00000000 1.0 Ru Ru27 1 0.81447786 0.19597608 0.00000000 1.0 Ru Ru28 1 0.38149822 0.18552214 0.00000000 1.0 Ru Ru29 1 0.36845656 0.49418953 0.50000000 1.0 Ru Ru30 1 0.50581047 0.87426702 0.50000000 1.0 Ru Ru31 1 0.12573298 0.63154344 0.50000000 1.0 Ru Ru32 1 0.87426702 0.50581047 0.50000000 1.0 Ru Ru33 1 0.63154344 0.12573298 0.50000000 1.0 Ru Ru34 1 0.49418953 0.36845656 0.50000000 1.0 Ru Ru35 1 0.00000000 0.00000000 0.00000000 1.0