# generated using pymatgen data_LiTb2(P2Rh3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92282617 _cell_length_b 10.75515936 _cell_length_c 12.45940686 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTb2(P2Rh3)3 _chemical_formula_sum 'Li2 Tb4 P12 Rh18' _cell_volume 525.67010807 _cell_formula_units_Z 2 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 Li Li0 1 0.25000000 0.70458326 0.99100831 1.0 Li Li1 1 0.25000000 0.79541674 0.49100831 1.0 Tb Tb2 1 0.25000000 0.57845389 0.70425132 1.0 Tb Tb3 1 0.25000000 0.92154611 0.20425132 1.0 Tb Tb4 1 0.75000000 0.42756313 0.30142594 1.0 Tb Tb5 1 0.75000000 0.07243687 0.80142594 1.0 P P6 1 0.25000000 0.43021950 0.11680137 1.0 P P7 1 0.25000000 0.06978050 0.61680137 1.0 P P8 1 0.75000000 0.57110938 0.88259800 1.0 P P9 1 0.75000000 0.92889062 0.38259800 1.0 P P10 1 0.25000000 0.25857987 0.86630742 1.0 P P11 1 0.25000000 0.24142013 0.36630742 1.0 P P12 1 0.75000000 0.73575633 0.13972866 1.0 P P13 1 0.75000000 0.76424367 0.63972866 1.0 P P14 1 0.25000000 0.60710435 0.39266690 1.0 P P15 1 0.25000000 0.89289565 0.89266690 1.0 P P16 1 0.75000000 0.40168814 0.60696381 1.0 P P17 1 0.75000000 0.09831186 0.10696381 1.0 Rh Rh18 1 0.75000000 0.27239473 0.99911233 1.0 Rh Rh19 1 0.75000000 0.22760527 0.49911233 1.0 Rh Rh20 1 0.25000000 0.41160413 0.48277054 1.0 Rh Rh21 1 0.25000000 0.08839587 0.98277054 1.0 Rh Rh22 1 0.75000000 0.59528377 0.52149195 1.0 Rh Rh23 1 0.75000000 0.90471623 0.02149195 1.0 Rh Rh24 1 0.25000000 0.23636810 0.17668717 1.0 Rh Rh25 1 0.25000000 0.26363190 0.67668717 1.0 Rh Rh26 1 0.75000000 0.76954383 0.82661458 1.0 Rh Rh27 1 0.75000000 0.73045617 0.32661458 1.0 Rh Rh28 1 0.25000000 0.87627471 0.70027856 1.0 Rh Rh29 1 0.25000000 0.62372529 0.20027856 1.0 Rh Rh30 1 0.75000000 0.11796290 0.29229144 1.0 Rh Rh31 1 0.75000000 0.38203710 0.79229144 1.0 Rh Rh32 1 0.25000000 0.45643901 0.93171513 1.0 Rh Rh33 1 0.25000000 0.04356099 0.43171513 1.0 Rh Rh34 1 0.75000000 0.53545368 0.06728657 1.0 Rh Rh35 1 0.75000000 0.96454632 0.56728657 1.0