# generated using pymatgen data_Ti5Sb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19325282 _cell_length_b 8.33712834 _cell_length_c 10.20755277 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti5Sb3 _chemical_formula_sum 'Ti20 Sb12' _cell_volume 612.15788153 _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 Ti Ti0 1 0.79391128 0.93737628 0.94475271 1.0 Ti Ti1 1 0.29391128 0.06262372 0.55524729 1.0 Ti Ti2 1 0.20608687 0.43738033 0.05531229 1.0 Ti Ti3 1 0.70608787 0.56261967 0.44468771 1.0 Ti Ti4 1 0.20608787 0.06261967 0.05531229 1.0 Ti Ti5 1 0.70608687 0.93738033 0.44468771 1.0 Ti Ti6 1 0.79391128 0.56262372 0.94475271 1.0 Ti Ti7 1 0.29391128 0.43737628 0.55524729 1.0 Ti Ti8 1 0.18130018 0.75000000 0.76537832 1.0 Ti Ti9 1 0.68130018 0.25000000 0.73462168 1.0 Ti Ti10 1 0.81871489 0.25000000 0.23463596 1.0 Ti Ti11 1 0.31871489 0.75000000 0.26536404 1.0 Ti Ti12 1 0.47813060 0.75000000 0.99551309 1.0 Ti Ti13 1 0.97813060 0.25000000 0.50448691 1.0 Ti Ti14 1 0.52190927 0.25000000 0.00453824 1.0 Ti Ti15 1 0.02190927 0.75000000 0.49546176 1.0 Ti Ti16 1 0.67509086 0.75000000 0.71775015 1.0 Ti Ti17 1 0.17509086 0.25000000 0.78224985 1.0 Ti Ti18 1 0.32486726 0.25000000 0.28227585 1.0 Ti Ti19 1 0.82486726 0.75000000 0.21772415 1.0 Sb Sb20 1 0.93504954 0.50827430 0.67771132 1.0 Sb Sb21 1 0.43504954 0.49172570 0.82228868 1.0 Sb Sb22 1 0.06493305 0.00824589 0.32221940 1.0 Sb Sb23 1 0.56493305 0.99175411 0.17777960 1.0 Sb Sb24 1 0.06493305 0.49175411 0.32222040 1.0 Sb Sb25 1 0.56493305 0.50824589 0.17778060 1.0 Sb Sb26 1 0.93504954 0.99172570 0.67771132 1.0 Sb Sb27 1 0.43504954 0.00827430 0.82228868 1.0 Sb Sb28 1 0.41053397 0.75000000 0.52638034 1.0 Sb Sb29 1 0.91053397 0.25000000 0.97361966 1.0 Sb Sb30 1 0.58948849 0.25000000 0.47355007 1.0 Sb Sb31 1 0.08948849 0.75000000 0.02644993 1.0