# generated using pymatgen data_Ti3Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.92632374 _cell_length_b 7.92632374 _cell_length_c 7.92632374 _cell_angle_alpha 96.29737223 _cell_angle_beta 96.29737223 _cell_angle_gamma 141.31761094 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Sb _chemical_formula_sum 'Ti12 Sb4' _cell_volume 293.67588287 _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 0.57562100 0.71659200 0.29221400 1.0 Ti Ti1 1 0.71659200 0.42437900 0.14097100 1.0 Ti Ti2 1 0.28340800 0.57562100 0.85902900 1.0 Ti Ti3 1 0.07562100 0.78340800 0.85902900 1.0 Ti Ti4 1 0.25000000 0.25000000 0.00000000 1.0 Ti Ti5 1 0.78340800 0.92437900 0.70778600 1.0 Ti Ti6 1 0.42437900 0.28340800 0.70778600 1.0 Ti Ti7 1 0.75000000 0.75000000 0.00000000 1.0 Ti Ti8 1 0.21659200 0.07562100 0.29221400 1.0 Ti Ti9 1 0.92437900 0.21659200 0.14097100 1.0 Ti Ti10 1 0.25000000 0.75000000 0.50000000 1.0 Ti Ti11 1 0.75000000 0.25000000 0.50000000 1.0 Sb Sb12 1 0.83723600 0.66276400 0.50000000 1.0 Sb Sb13 1 0.33723600 0.83723600 0.17447200 1.0 Sb Sb14 1 0.16276400 0.33723600 0.50000000 1.0 Sb Sb15 1 0.66276400 0.16276400 0.82552800 1.0