# generated using pymatgen data_Zr3Ti3Sn3Sb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.59508432 _cell_length_b 9.52369521 _cell_length_c 5.74574796 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.75418416 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Ti3Sn3Sb2 _chemical_formula_sum 'Zr6 Ti6 Sn6 Sb4' _cell_volume 455.82896158 _cell_formula_units_Z 2 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 0.84066879 0.68984901 0.75000000 1.0 Zr Zr1 1 0.15933121 0.84918122 0.25000000 1.0 Zr Zr2 1 0.69145030 0.84730424 0.25000000 1.0 Zr Zr3 1 0.30854970 0.15585294 0.75000000 1.0 Zr Zr4 1 0.84690718 0.14934778 0.75000000 1.0 Zr Zr5 1 0.15309282 0.30243960 0.25000000 1.0 Ti Ti6 1 0.50177333 0.00257338 0.49914736 1.0 Ti Ti7 1 0.49822667 0.50080105 0.99914736 1.0 Ti Ti8 1 0.00000000 0.49847600 0.00000000 1.0 Ti Ti9 1 0.00000000 0.49847600 0.50000000 1.0 Ti Ti10 1 0.50177333 0.00257338 0.00085264 1.0 Ti Ti11 1 0.49822667 0.50080105 0.50085264 1.0 Sn Sn12 1 0.20847210 0.79276813 0.75000000 1.0 Sn Sn13 1 0.79152790 0.58429702 0.25000000 1.0 Sn Sn14 1 0.66848383 0.33521818 0.75000000 1.0 Sn Sn15 1 0.33151617 0.66673435 0.25000000 1.0 Sn Sn16 1 0.00000000 0.99458676 0.50000000 1.0 Sn Sn17 1 0.00000000 0.99458676 0.00000000 1.0 Sb Sb18 1 0.20677057 0.41726172 0.75000000 1.0 Sb Sb19 1 0.79322943 0.21049115 0.25000000 1.0 Sb Sb20 1 0.41860000 0.21249212 0.25000000 1.0 Sb Sb21 1 0.58140000 0.79389213 0.75000000 1.0