# generated using pymatgen data_Tb2(PPd)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94188848 _cell_length_b 10.85270244 _cell_length_c 13.30740220 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2(PPd)3 _chemical_formula_sum 'Tb8 P12 Pd12' _cell_volume 569.29256482 _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 0.92584893 0.78402589 1.0 Tb Tb1 1 0.75000000 0.42584893 0.71597411 1.0 Tb Tb2 1 0.25000000 0.57415107 0.28402589 1.0 Tb Tb3 1 0.75000000 0.07415107 0.21597411 1.0 Tb Tb4 1 0.25000000 0.84104407 0.50294716 1.0 Tb Tb5 1 0.75000000 0.34104407 0.99705284 1.0 Tb Tb6 1 0.25000000 0.65895593 0.00294716 1.0 Tb Tb7 1 0.75000000 0.15895593 0.49705284 1.0 P P8 1 0.25000000 0.23706747 0.64449944 1.0 P P9 1 0.75000000 0.73706747 0.85550056 1.0 P P10 1 0.25000000 0.26293253 0.14449944 1.0 P P11 1 0.75000000 0.76293253 0.35550056 1.0 P P12 1 0.25000000 0.60163009 0.60367850 1.0 P P13 1 0.75000000 0.10163009 0.89632150 1.0 P P14 1 0.25000000 0.89836991 0.10367850 1.0 P P15 1 0.75000000 0.39836991 0.39632150 1.0 P P16 1 0.25000000 0.05555554 0.37606199 1.0 P P17 1 0.75000000 0.55555554 0.12393801 1.0 P P18 1 0.25000000 0.44444446 0.87606199 1.0 P P19 1 0.75000000 0.94444446 0.62393801 1.0 Pd Pd20 1 0.25000000 0.40766597 0.52368361 1.0 Pd Pd21 1 0.75000000 0.90766597 0.97631639 1.0 Pd Pd22 1 0.25000000 0.09233403 0.02368361 1.0 Pd Pd23 1 0.75000000 0.59233403 0.47631639 1.0 Pd Pd24 1 0.25000000 0.27297356 0.33895122 1.0 Pd Pd25 1 0.75000000 0.77297356 0.16104878 1.0 Pd Pd26 1 0.25000000 0.22702644 0.83895122 1.0 Pd Pd27 1 0.75000000 0.72702644 0.66104878 1.0 Pd Pd28 1 0.25000000 0.86739484 0.28146407 1.0 Pd Pd29 1 0.75000000 0.36739484 0.21853593 1.0 Pd Pd30 1 0.25000000 0.63260516 0.78146407 1.0 Pd Pd31 1 0.75000000 0.13260516 0.71853593 1.0