# generated using pymatgen data_Tb3Ti(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95886720 _cell_length_b 11.14968817 _cell_length_c 12.78540018 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Ti(P3Ir4)2 _chemical_formula_sum 'Tb6 Ti2 P12 Ir16' _cell_volume 564.34928640 _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 Tb Tb0 1 0.00000000 0.50000000 0.51892575 1.0 Tb Tb1 1 0.50000000 0.00000000 0.48107425 1.0 Tb Tb2 1 0.50000000 0.81890976 0.20330207 1.0 Tb Tb3 1 0.50000000 0.18109024 0.20330207 1.0 Tb Tb4 1 0.00000000 0.68109024 0.79669793 1.0 Tb Tb5 1 0.00000000 0.31890976 0.79669793 1.0 Ti Ti6 1 0.50000000 0.50000000 0.15616838 1.0 Ti Ti7 1 0.00000000 0.00000000 0.84383162 1.0 P P8 1 0.50000000 0.50000000 0.87694182 1.0 P P9 1 0.00000000 0.00000000 0.12305818 1.0 P P10 1 0.50000000 0.50000000 0.34997543 1.0 P P11 1 0.00000000 0.00000000 0.65002457 1.0 P P12 1 0.50000000 0.31322666 0.61730200 1.0 P P13 1 0.50000000 0.68677334 0.61730200 1.0 P P14 1 0.00000000 0.18677334 0.38269800 1.0 P P15 1 0.00000000 0.81322666 0.38269800 1.0 P P16 1 0.50000000 0.84485524 0.88747422 1.0 P P17 1 0.50000000 0.15514476 0.88747422 1.0 P P18 1 0.00000000 0.65514476 0.11252578 1.0 P P19 1 0.00000000 0.34485524 0.11252578 1.0 Ir Ir20 1 0.50000000 0.50000000 0.69778028 1.0 Ir Ir21 1 0.00000000 0.00000000 0.30221972 1.0 Ir Ir22 1 0.00000000 0.50000000 0.99305475 1.0 Ir Ir23 1 0.50000000 0.00000000 0.00694525 1.0 Ir Ir24 1 0.50000000 0.33114253 0.98237273 1.0 Ir Ir25 1 0.50000000 0.66885747 0.98237273 1.0 Ir Ir26 1 0.00000000 0.16885747 0.01762727 1.0 Ir Ir27 1 0.00000000 0.83114253 0.01762727 1.0 Ir Ir28 1 0.50000000 0.29268339 0.43080816 1.0 Ir Ir29 1 0.50000000 0.70731661 0.43080816 1.0 Ir Ir30 1 0.00000000 0.20731661 0.56919184 1.0 Ir Ir31 1 0.00000000 0.79268339 0.56919184 1.0 Ir Ir32 1 0.50000000 0.87320975 0.71027138 1.0 Ir Ir33 1 0.50000000 0.12679025 0.71027138 1.0 Ir Ir34 1 0.00000000 0.62679025 0.28972862 1.0 Ir Ir35 1 0.00000000 0.37320975 0.28972862 1.0