# generated using pymatgen data_Hf3P3Pd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77681078 _cell_length_b 9.99827613 _cell_length_c 16.38698741 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3P3Pd4 _chemical_formula_sum 'Hf12 P12 Pd16' _cell_volume 618.79881575 _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 Hf Hf0 1 0.25000000 0.91207648 0.06093237 1.0 Hf Hf1 1 0.75000000 0.08792352 0.93906763 1.0 Hf Hf2 1 0.75000000 0.41207648 0.43906763 1.0 Hf Hf3 1 0.25000000 0.58792352 0.56093237 1.0 Hf Hf4 1 0.25000000 0.61784411 0.95207898 1.0 Hf Hf5 1 0.75000000 0.38215589 0.04792102 1.0 Hf Hf6 1 0.75000000 0.11784411 0.54792102 1.0 Hf Hf7 1 0.25000000 0.88215589 0.45207898 1.0 Hf Hf8 1 0.25000000 0.47788979 0.76051476 1.0 Hf Hf9 1 0.75000000 0.52211021 0.23948524 1.0 Hf Hf10 1 0.75000000 0.97788979 0.73948524 1.0 Hf Hf11 1 0.25000000 0.02211021 0.26051476 1.0 P P12 1 0.25000000 0.10952520 0.82306114 1.0 P P13 1 0.75000000 0.89047480 0.17693886 1.0 P P14 1 0.75000000 0.60952520 0.67693886 1.0 P P15 1 0.25000000 0.39047480 0.32306114 1.0 P P16 1 0.25000000 0.96642754 0.61386978 1.0 P P17 1 0.75000000 0.03357246 0.38613022 1.0 P P18 1 0.75000000 0.46642754 0.88613022 1.0 P P19 1 0.25000000 0.53357246 0.11386978 1.0 P P20 1 0.25000000 0.32066879 0.54311512 1.0 P P21 1 0.75000000 0.67933121 0.45688488 1.0 P P22 1 0.75000000 0.82066879 0.95688488 1.0 P P23 1 0.25000000 0.17933121 0.04311512 1.0 Pd Pd24 1 0.25000000 0.31055238 0.17538904 1.0 Pd Pd25 1 0.75000000 0.68944762 0.82461096 1.0 Pd Pd26 1 0.75000000 0.81055238 0.32461096 1.0 Pd Pd27 1 0.25000000 0.18944762 0.67538904 1.0 Pd Pd28 1 0.25000000 0.73176229 0.20618073 1.0 Pd Pd29 1 0.75000000 0.26823771 0.79381927 1.0 Pd Pd30 1 0.75000000 0.23176229 0.29381927 1.0 Pd Pd31 1 0.25000000 0.76823771 0.70618073 1.0 Pd Pd32 1 0.25000000 0.61698606 0.37155511 1.0 Pd Pd33 1 0.75000000 0.38301394 0.62844489 1.0 Pd Pd34 1 0.75000000 0.11698606 0.12844489 1.0 Pd Pd35 1 0.25000000 0.88301394 0.87155511 1.0 Pd Pd36 1 0.25000000 0.18172047 0.41977834 1.0 Pd Pd37 1 0.75000000 0.81827953 0.58022166 1.0 Pd Pd38 1 0.75000000 0.68172047 0.08022166 1.0 Pd Pd39 1 0.25000000 0.31827953 0.91977834 1.0