# generated using pymatgen data_LiTb3(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96856353 _cell_length_b 11.22930039 _cell_length_c 12.63425892 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTb3(P3Ir4)2 _chemical_formula_sum 'Li2 Tb6 P12 Ir16' _cell_volume 563.03554010 _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 0.50000000 0.50000000 0.15236307 1.0 Li Li1 1 0.00000000 0.00000000 0.84763693 1.0 Tb Tb2 1 0.00000000 0.50000000 0.51691243 1.0 Tb Tb3 1 0.50000000 0.00000000 0.48308757 1.0 Tb Tb4 1 0.50000000 0.81817759 0.20459089 1.0 Tb Tb5 1 0.50000000 0.18182241 0.20459089 1.0 Tb Tb6 1 0.00000000 0.68182241 0.79540911 1.0 Tb Tb7 1 0.00000000 0.31817759 0.79540911 1.0 P P8 1 0.50000000 0.50000000 0.88037527 1.0 P P9 1 0.00000000 0.00000000 0.11962473 1.0 P P10 1 0.50000000 0.50000000 0.34169973 1.0 P P11 1 0.00000000 0.00000000 0.65830027 1.0 P P12 1 0.50000000 0.31170297 0.61801447 1.0 P P13 1 0.50000000 0.68829703 0.61801447 1.0 P P14 1 0.00000000 0.18829703 0.38198553 1.0 P P15 1 0.00000000 0.81170297 0.38198553 1.0 P P16 1 0.50000000 0.84417149 0.89165088 1.0 P P17 1 0.50000000 0.15582851 0.89165088 1.0 P P18 1 0.00000000 0.65582851 0.10834912 1.0 P P19 1 0.00000000 0.34417149 0.10834912 1.0 Ir Ir20 1 0.50000000 0.50000000 0.69868410 1.0 Ir Ir21 1 0.00000000 0.00000000 0.30131590 1.0 Ir Ir22 1 0.00000000 0.50000000 0.98425374 1.0 Ir Ir23 1 0.50000000 0.00000000 0.01574626 1.0 Ir Ir24 1 0.50000000 0.33204530 0.98946312 1.0 Ir Ir25 1 0.50000000 0.66795470 0.98946312 1.0 Ir Ir26 1 0.00000000 0.16795470 0.01053688 1.0 Ir Ir27 1 0.00000000 0.83204530 0.01053688 1.0 Ir Ir28 1 0.50000000 0.29286476 0.43031959 1.0 Ir Ir29 1 0.50000000 0.70713524 0.43031959 1.0 Ir Ir30 1 0.00000000 0.20713524 0.56968041 1.0 Ir Ir31 1 0.00000000 0.79286476 0.56968041 1.0 Ir Ir32 1 0.50000000 0.87313307 0.71141605 1.0 Ir Ir33 1 0.50000000 0.12686693 0.71141605 1.0 Ir Ir34 1 0.00000000 0.62686693 0.28858395 1.0 Ir Ir35 1 0.00000000 0.37313307 0.28858395 1.0