# generated using pymatgen data_TbFe2(PPd)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82015070 _cell_length_b 10.69269538 _cell_length_c 12.43454966 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbFe2(PPd)3 _chemical_formula_sum 'Tb4 Fe8 P12 Pd12' _cell_volume 507.92285077 _cell_formula_units_Z 4 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 0.25000000 0.57479824 0.71430968 1.0 Tb Tb1 1 0.25000000 0.92520176 0.21430968 1.0 Tb Tb2 1 0.75000000 0.42520176 0.28569032 1.0 Tb Tb3 1 0.75000000 0.07479824 0.78569032 1.0 Fe Fe4 1 0.25000000 0.87031898 0.69591414 1.0 Fe Fe5 1 0.25000000 0.62968102 0.19591414 1.0 Fe Fe6 1 0.75000000 0.12968102 0.30408586 1.0 Fe Fe7 1 0.75000000 0.37031898 0.80408586 1.0 Fe Fe8 1 0.25000000 0.45779179 0.93415782 1.0 Fe Fe9 1 0.25000000 0.04220821 0.43415782 1.0 Fe Fe10 1 0.75000000 0.54220821 0.06584218 1.0 Fe Fe11 1 0.75000000 0.95779179 0.56584218 1.0 P P12 1 0.25000000 0.44960723 0.11045538 1.0 P P13 1 0.25000000 0.05039277 0.61045538 1.0 P P14 1 0.75000000 0.55039277 0.88954462 1.0 P P15 1 0.75000000 0.94960723 0.38954462 1.0 P P16 1 0.25000000 0.27532895 0.86308078 1.0 P P17 1 0.25000000 0.22467105 0.36308078 1.0 P P18 1 0.75000000 0.72467105 0.13691922 1.0 P P19 1 0.75000000 0.77532895 0.63691922 1.0 P P20 1 0.25000000 0.60235907 0.37364130 1.0 P P21 1 0.25000000 0.89764093 0.87364130 1.0 P P22 1 0.75000000 0.39764093 0.62635870 1.0 P P23 1 0.75000000 0.10235907 0.12635870 1.0 Pd Pd24 1 0.25000000 0.71561863 0.99068653 1.0 Pd Pd25 1 0.25000000 0.78438137 0.49068653 1.0 Pd Pd26 1 0.75000000 0.28438137 0.00931347 1.0 Pd Pd27 1 0.75000000 0.21561863 0.50931347 1.0 Pd Pd28 1 0.25000000 0.40940563 0.47173835 1.0 Pd Pd29 1 0.25000000 0.09059437 0.97173835 1.0 Pd Pd30 1 0.75000000 0.59059437 0.52826165 1.0 Pd Pd31 1 0.75000000 0.90940563 0.02826165 1.0 Pd Pd32 1 0.25000000 0.23474620 0.17437569 1.0 Pd Pd33 1 0.25000000 0.26525380 0.67437569 1.0 Pd Pd34 1 0.75000000 0.76525380 0.82562431 1.0 Pd Pd35 1 0.75000000 0.73474620 0.32562431 1.0