# generated using pymatgen data_Tb6ScP12Rh17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92834061 _cell_length_b 11.13669246 _cell_length_c 12.72807963 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb6ScP12Rh17 _chemical_formula_sum 'Tb6 Sc1 P12 Rh17' _cell_volume 556.83720819 _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 0.00000000 0.50000000 0.52145548 1.0 Tb Tb1 1 0.50000000 0.00000000 0.47693080 1.0 Tb Tb2 1 0.50000000 0.81816816 0.20686084 1.0 Tb Tb3 1 0.50000000 0.18183184 0.20686084 1.0 Tb Tb4 1 0.00000000 0.68172731 0.79578060 1.0 Tb Tb5 1 0.00000000 0.31827269 0.79578060 1.0 Sc Sc6 1 0.50000000 0.50000000 0.15514813 1.0 P P7 1 0.50000000 0.50000000 0.87856719 1.0 P P8 1 0.00000000 0.00000000 0.11981498 1.0 P P9 1 0.50000000 0.50000000 0.35828244 1.0 P P10 1 0.00000000 0.00000000 0.64798139 1.0 P P11 1 0.50000000 0.31466823 0.61970295 1.0 P P12 1 0.50000000 0.68533177 0.61970295 1.0 P P13 1 0.00000000 0.18662189 0.38351321 1.0 P P14 1 0.00000000 0.81337811 0.38351321 1.0 P P15 1 0.50000000 0.84886110 0.88927969 1.0 P P16 1 0.50000000 0.15113890 0.88927969 1.0 P P17 1 0.00000000 0.66094679 0.10732348 1.0 P P18 1 0.00000000 0.33905321 0.10732348 1.0 Rh Rh19 1 0.00000000 0.00000000 0.82804872 1.0 Rh Rh20 1 0.50000000 0.50000000 0.70100789 1.0 Rh Rh21 1 0.00000000 0.00000000 0.29835204 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98666214 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01769589 1.0 Rh Rh24 1 0.50000000 0.32939856 0.98749998 1.0 Rh Rh25 1 0.50000000 0.67060144 0.98749998 1.0 Rh Rh26 1 0.00000000 0.16421429 0.00656183 1.0 Rh Rh27 1 0.00000000 0.83578571 0.00656183 1.0 Rh Rh28 1 0.50000000 0.29063480 0.43519812 1.0 Rh Rh29 1 0.50000000 0.70936520 0.43519812 1.0 Rh Rh30 1 0.00000000 0.20074728 0.57106129 1.0 Rh Rh31 1 0.00000000 0.79925272 0.57106129 1.0 Rh Rh32 1 0.50000000 0.87468837 0.70986462 1.0 Rh Rh33 1 0.50000000 0.12531163 0.70986462 1.0 Rh Rh34 1 0.00000000 0.62698870 0.29238183 1.0 Rh Rh35 1 0.00000000 0.37301130 0.29238183 1.0