# generated using pymatgen data_Zr3Sb7Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98277516 _cell_length_b 14.61696831 _cell_length_c 17.77210855 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Sb7Pd _chemical_formula_sum 'Zr12 Sb28 Pd4' _cell_volume 1034.62281834 _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 Zr Zr0 1 0.25000000 0.31067970 0.84740407 1.0 Zr Zr1 1 0.25000000 0.18932030 0.34740407 1.0 Zr Zr2 1 0.75000000 0.68932030 0.15259593 1.0 Zr Zr3 1 0.75000000 0.81067970 0.65259593 1.0 Zr Zr4 1 0.25000000 0.03135686 0.86972864 1.0 Zr Zr5 1 0.25000000 0.46864314 0.36972864 1.0 Zr Zr6 1 0.75000000 0.96864314 0.13027136 1.0 Zr Zr7 1 0.75000000 0.53135686 0.63027136 1.0 Zr Zr8 1 0.25000000 0.58744287 0.89241183 1.0 Zr Zr9 1 0.25000000 0.91255713 0.39241183 1.0 Zr Zr10 1 0.75000000 0.41255713 0.10758817 1.0 Zr Zr11 1 0.75000000 0.08744287 0.60758817 1.0 Sb Sb12 1 0.25000000 0.19520359 0.51957439 1.0 Sb Sb13 1 0.25000000 0.30479641 0.01957439 1.0 Sb Sb14 1 0.75000000 0.80479641 0.48042561 1.0 Sb Sb15 1 0.75000000 0.69520359 0.98042561 1.0 Sb Sb16 1 0.25000000 0.42888331 0.53618966 1.0 Sb Sb17 1 0.25000000 0.07111669 0.03618966 1.0 Sb Sb18 1 0.75000000 0.57111669 0.46381034 1.0 Sb Sb19 1 0.75000000 0.92888331 0.96381034 1.0 Sb Sb20 1 0.25000000 0.93939452 0.57176364 1.0 Sb Sb21 1 0.25000000 0.56060548 0.07176364 1.0 Sb Sb22 1 0.75000000 0.06060548 0.42823636 1.0 Sb Sb23 1 0.75000000 0.43939452 0.92823636 1.0 Sb Sb24 1 0.25000000 0.67654447 0.59249240 1.0 Sb Sb25 1 0.25000000 0.82345553 0.09249240 1.0 Sb Sb26 1 0.75000000 0.32345553 0.40750760 1.0 Sb Sb27 1 0.75000000 0.17654447 0.90750760 1.0 Sb Sb28 1 0.25000000 0.14727371 0.72714936 1.0 Sb Sb29 1 0.25000000 0.35272629 0.22714936 1.0 Sb Sb30 1 0.75000000 0.85272629 0.27285064 1.0 Sb Sb31 1 0.75000000 0.64727371 0.77285064 1.0 Sb Sb32 1 0.25000000 0.48047747 0.74756774 1.0 Sb Sb33 1 0.25000000 0.01952253 0.24756774 1.0 Sb Sb34 1 0.75000000 0.51952253 0.25243226 1.0 Sb Sb35 1 0.75000000 0.98047747 0.75243226 1.0 Sb Sb36 1 0.25000000 0.81939607 0.78466208 1.0 Sb Sb37 1 0.25000000 0.68060393 0.28466208 1.0 Sb Sb38 1 0.75000000 0.18060393 0.21533792 1.0 Sb Sb39 1 0.75000000 0.31939607 0.71533792 1.0 Pd Pd40 1 0.25000000 0.81019285 0.93577082 1.0 Pd Pd41 1 0.25000000 0.68980715 0.43577082 1.0 Pd Pd42 1 0.75000000 0.18980715 0.06422918 1.0 Pd Pd43 1 0.75000000 0.31019285 0.56422918 1.0