# generated using pymatgen data_Tb5Ti3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.69391863 _cell_length_b 12.69391961 _cell_length_c 3.94409445 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Ti3(P3Ir4)4 _chemical_formula_sum 'Tb5 Ti3 P12 Ir16' _cell_volume 550.38855145 _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 0.33333300 0.66666700 0.50000000 1.0 Tb Tb1 1 0.66666700 0.33333300 0.50000000 1.0 Tb Tb2 1 0.00000000 0.81189285 0.00000000 1.0 Tb Tb3 1 0.18810715 0.18810715 0.00000000 1.0 Tb Tb4 1 0.81189285 1.00000000 0.00000000 1.0 Ti Ti5 1 1.00000000 0.44771858 0.50000000 1.0 Ti Ti6 1 0.55228142 0.55228142 0.50000000 1.0 Ti Ti7 1 0.44771858 0.00000000 0.50000000 1.0 P P8 1 0.00000000 0.63969181 0.50000000 1.0 P P9 1 0.36030819 0.36030819 0.50000000 1.0 P P10 1 0.63969181 1.00000000 0.50000000 1.0 P P11 1 0.51760689 0.68540785 0.00000000 1.0 P P12 1 0.31459215 0.83220004 0.00000000 1.0 P P13 1 0.16779996 0.48239311 0.00000000 1.0 P P14 1 0.48239311 0.16779996 0.00000000 1.0 P P15 1 0.68540785 0.51760689 0.00000000 1.0 P P16 1 0.83220004 0.31459215 0.00000000 1.0 P P17 1 1.00000000 0.17655303 0.50000000 1.0 P P18 1 0.82344697 0.82344697 0.50000000 1.0 P P19 1 0.17655303 0.00000000 0.50000000 1.0 Ir Ir20 1 0.50831112 0.86694959 0.00000000 1.0 Ir Ir21 1 0.13305041 0.64136153 0.00000000 1.0 Ir Ir22 1 0.35863847 0.49168888 0.00000000 1.0 Ir Ir23 1 0.49168888 0.35863847 0.00000000 1.0 Ir Ir24 1 0.86694959 0.50831112 0.00000000 1.0 Ir Ir25 1 0.64136153 0.13305041 0.00000000 1.0 Ir Ir26 1 0.00000000 0.28321202 0.00000000 1.0 Ir Ir27 1 0.71678798 0.71678798 0.00000000 1.0 Ir Ir28 1 0.28321202 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62654204 0.80505270 0.50000000 1.0 Ir Ir30 1 0.19494730 0.82148934 0.50000000 1.0 Ir Ir31 1 0.17851066 0.37345796 0.50000000 1.0 Ir Ir32 1 0.37345796 0.17851066 0.50000000 1.0 Ir Ir33 1 0.80505270 0.62654204 0.50000000 1.0 Ir Ir34 1 0.82148934 0.19494730 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0