# generated using pymatgen data_Zr3Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71348480 _cell_length_b 8.55518526 _cell_length_c 8.55518526 _cell_angle_alpha 83.59809292 _cell_angle_beta 70.49317359 _cell_angle_gamma 70.49317359 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Sb _chemical_formula_sum 'Zr12 Sb4' _cell_volume 371.54922805 _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 0.89561619 0.97411471 0.81355000 1.0 Zr Zr1 1 0.68328190 0.02588529 0.18645000 1.0 Zr Zr2 1 0.13026810 0.18645000 0.97411471 1.0 Zr Zr3 1 0.29083381 0.81355000 0.02588529 1.0 Zr Zr4 1 0.61635114 0.38331126 0.33229669 1.0 Zr Zr5 1 0.33195909 0.61668874 0.66770331 1.0 Zr Zr6 1 0.00033760 0.66770331 0.38331126 1.0 Zr Zr7 1 0.05135217 0.33229669 0.61668874 1.0 Zr Zr8 1 0.02178802 0.03193905 0.39938145 1.0 Zr Zr9 1 0.45310951 0.96806095 0.60061855 1.0 Zr Zr10 1 0.94627293 0.60061855 0.03193905 1.0 Zr Zr11 1 0.57882954 0.39938145 0.96806095 1.0 Sb Sb12 1 0.18173344 0.32567724 0.25376099 1.0 Sb Sb13 1 0.76117367 0.67432276 0.74623901 1.0 Sb Sb14 1 0.49258731 0.74623901 0.32567724 1.0 Sb Sb15 1 0.56450357 0.25376099 0.67432276 1.0