# generated using pymatgen data_Tb3Ti(P3Pd4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94954862 _cell_length_b 11.29807138 _cell_length_c 13.22297911 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Ti(P3Pd4)2 _chemical_formula_sum 'Tb6 Ti2 P12 Pd16' _cell_volume 590.03950506 _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 0.52002450 1.0 Tb Tb1 1 0.50000000 0.00000000 0.47997550 1.0 Tb Tb2 1 0.50000000 0.81590477 0.20600429 1.0 Tb Tb3 1 0.50000000 0.18409523 0.20600429 1.0 Tb Tb4 1 0.00000000 0.68409523 0.79399571 1.0 Tb Tb5 1 0.00000000 0.31590477 0.79399571 1.0 Ti Ti6 1 0.50000000 0.50000000 0.15786368 1.0 Ti Ti7 1 0.00000000 0.00000000 0.84213632 1.0 P P8 1 0.50000000 0.50000000 0.87182794 1.0 P P9 1 0.00000000 0.00000000 0.12817206 1.0 P P10 1 0.50000000 0.50000000 0.34995283 1.0 P P11 1 0.00000000 0.00000000 0.65004717 1.0 P P12 1 0.50000000 0.31941555 0.61640410 1.0 P P13 1 0.50000000 0.68058445 0.61640410 1.0 P P14 1 0.00000000 0.18058445 0.38359590 1.0 P P15 1 0.00000000 0.81941555 0.38359590 1.0 P P16 1 0.50000000 0.85000980 0.88300129 1.0 P P17 1 0.50000000 0.14999020 0.88300129 1.0 P P18 1 0.00000000 0.64999020 0.11699871 1.0 P P19 1 0.00000000 0.35000980 0.11699871 1.0 Pd Pd20 1 0.50000000 0.50000000 0.69858808 1.0 Pd Pd21 1 0.00000000 0.00000000 0.30141192 1.0 Pd Pd22 1 0.00000000 0.50000000 0.98946899 1.0 Pd Pd23 1 0.50000000 0.00000000 0.01053101 1.0 Pd Pd24 1 0.50000000 0.32927830 0.97191259 1.0 Pd Pd25 1 0.50000000 0.67072170 0.97191259 1.0 Pd Pd26 1 0.00000000 0.17072170 0.02808741 1.0 Pd Pd27 1 0.00000000 0.82927830 0.02808741 1.0 Pd Pd28 1 0.50000000 0.30248132 0.43336889 1.0 Pd Pd29 1 0.50000000 0.69751868 0.43336889 1.0 Pd Pd30 1 0.00000000 0.19751868 0.56663111 1.0 Pd Pd31 1 0.00000000 0.80248132 0.56663111 1.0 Pd Pd32 1 0.50000000 0.87442750 0.70624526 1.0 Pd Pd33 1 0.50000000 0.12557250 0.70624526 1.0 Pd Pd34 1 0.00000000 0.62557250 0.29375474 1.0 Pd Pd35 1 0.00000000 0.37442750 0.29375474 1.0