# generated using pymatgen data_Tb5P12PdRu18 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96848358 _cell_length_b 12.51046051 _cell_length_c 12.40379666 _cell_angle_alpha 119.71804837 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5P12PdRu18 _chemical_formula_sum 'Tb5 P12 Pd1 Ru18' _cell_volume 534.82296069 _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 0.50000000 0.00000165 0.18220363 1.0 Tb Tb1 1 0.50000000 0.18254478 0.99839516 1.0 Tb Tb2 1 0.50000000 0.81746110 0.81585035 1.0 Tb Tb3 1 0.00000000 0.33914032 0.66902842 1.0 Tb Tb4 1 0.00000000 0.66084217 0.32987876 1.0 P P5 1 0.00000000 0.99999749 0.81017807 1.0 P P6 1 0.00000000 0.81734155 0.00201187 1.0 P P7 1 0.00000000 0.18265063 0.18466948 1.0 P P8 1 0.50000000 0.30713265 0.47976488 1.0 P P9 1 0.50000000 0.18134838 0.70111103 1.0 P P10 1 0.50000000 0.52682782 0.83187367 1.0 P P11 1 0.50000000 0.81864429 0.51975620 1.0 P P12 1 0.50000000 0.47315538 0.30504029 1.0 P P13 1 0.50000000 0.69286382 0.17263588 1.0 P P14 1 0.00000000 0.00000491 0.36533233 1.0 P P15 1 0.00000000 0.37412996 0.00026182 1.0 P P16 1 0.00000000 0.62586699 0.62611974 1.0 Pd Pd17 1 0.00000000 0.00001718 0.55166826 1.0 Ru Ru18 1 0.00000000 0.55623855 0.00245336 1.0 Ru Ru19 1 0.00000000 0.44374628 0.44621023 1.0 Ru Ru20 1 0.50000000 0.99999418 0.71073671 1.0 Ru Ru21 1 0.50000000 0.71927960 0.00272127 1.0 Ru Ru22 1 0.50000000 0.28071268 0.28344038 1.0 Ru Ru23 1 0.00000000 0.19316827 0.38009163 1.0 Ru Ru24 1 0.00000000 0.18674673 0.80687948 1.0 Ru Ru25 1 0.00000000 0.62630211 0.81704085 1.0 Ru Ru26 1 0.00000000 0.81324577 0.62012455 1.0 Ru Ru27 1 0.00000000 0.37369132 0.19075026 1.0 Ru Ru28 1 0.00000000 0.80682701 0.18692724 1.0 Ru Ru29 1 0.50000000 0.12672310 0.49428078 1.0 Ru Ru30 1 0.50000000 0.37073847 0.87791966 1.0 Ru Ru31 1 0.50000000 0.50824025 0.63566838 1.0 Ru Ru32 1 0.50000000 0.62924054 0.50715763 1.0 Ru Ru33 1 0.50000000 0.49174049 0.12742743 1.0 Ru Ru34 1 0.50000000 0.87329030 0.36756909 1.0 Ru Ru35 1 0.00000000 0.00000426 0.99682223 1.0