# generated using pymatgen data_Tb6TiP12Rh17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91711978 _cell_length_b 11.11943669 _cell_length_c 12.70073934 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb6TiP12Rh17 _chemical_formula_sum 'Tb6 Ti1 P12 Rh17' _cell_volume 553.19550322 _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 0.51960575 1.0 Tb Tb1 1 0.50000000 0.00000000 0.47775545 1.0 Tb Tb2 1 0.50000000 0.81656947 0.20632634 1.0 Tb Tb3 1 0.50000000 0.18343053 0.20632634 1.0 Tb Tb4 1 0.00000000 0.68111289 0.79656160 1.0 Tb Tb5 1 0.00000000 0.31888711 0.79656160 1.0 Ti Ti6 1 0.50000000 0.50000000 0.15646430 1.0 P P7 1 0.50000000 0.50000000 0.87743183 1.0 P P8 1 0.00000000 0.00000000 0.12032429 1.0 P P9 1 0.50000000 0.50000000 0.34968942 1.0 P P10 1 0.00000000 0.00000000 0.64976498 1.0 P P11 1 0.50000000 0.31480286 0.61915672 1.0 P P12 1 0.50000000 0.68519714 0.61915672 1.0 P P13 1 0.00000000 0.18667566 0.38299402 1.0 P P14 1 0.00000000 0.81332434 0.38299402 1.0 P P15 1 0.50000000 0.84762245 0.89026147 1.0 P P16 1 0.50000000 0.15237755 0.89026147 1.0 P P17 1 0.00000000 0.65570133 0.10876765 1.0 P P18 1 0.00000000 0.34429867 0.10876765 1.0 Rh Rh19 1 0.00000000 0.00000000 0.83081591 1.0 Rh Rh20 1 0.50000000 0.50000000 0.69946471 1.0 Rh Rh21 1 0.00000000 0.00000000 0.29893915 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98739201 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01744338 1.0 Rh Rh24 1 0.50000000 0.33169674 0.98883566 1.0 Rh Rh25 1 0.50000000 0.66830326 0.98883566 1.0 Rh Rh26 1 0.00000000 0.16631329 0.00971931 1.0 Rh Rh27 1 0.00000000 0.83368671 0.00971931 1.0 Rh Rh28 1 0.50000000 0.29085814 0.43362828 1.0 Rh Rh29 1 0.50000000 0.70914186 0.43362828 1.0 Rh Rh30 1 0.00000000 0.20145809 0.57023314 1.0 Rh Rh31 1 0.00000000 0.79854191 0.57023314 1.0 Rh Rh32 1 0.50000000 0.87395450 0.71027525 1.0 Rh Rh33 1 0.50000000 0.12604550 0.71027525 1.0 Rh Rh34 1 0.00000000 0.62602198 0.29069445 1.0 Rh Rh35 1 0.00000000 0.37397802 0.29069445 1.0