# generated using pymatgen data_TaTi9(Sn3As)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.22887861 _cell_length_b 8.22887783 _cell_length_c 5.59004485 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999122 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTi9(Sn3As)2 _chemical_formula_sum 'Ta1 Ti9 Sn6 As2' _cell_volume 327.81380017 _cell_formula_units_Z 1 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 Ta Ta0 1 0.33333300 0.66666700 0.50000000 1.0 Ti Ti1 1 0.26068606 0.99676047 0.74740204 1.0 Ti Ti2 1 0.73607541 0.99676047 0.25259796 1.0 Ti Ti3 1 0.00323953 0.26392459 0.74740204 1.0 Ti Ti4 1 0.00323953 0.73931394 0.25259796 1.0 Ti Ti5 1 0.73607541 0.73931394 0.74740204 1.0 Ti Ti6 1 0.26068606 0.26392459 0.25259796 1.0 Ti Ti7 1 0.66666700 0.33333300 0.50000000 1.0 Ti Ti8 1 0.66666700 0.33333300 0.00000000 1.0 Ti Ti9 1 0.33333300 0.66666700 0.00000000 1.0 Sn Sn10 1 0.60541564 0.00304745 0.75225516 1.0 Sn Sn11 1 0.39763181 0.00304745 0.24774484 1.0 Sn Sn12 1 0.99695255 0.60236819 0.75225516 1.0 Sn Sn13 1 0.99695255 0.39458436 0.24774484 1.0 Sn Sn14 1 0.39763181 0.39458436 0.75225516 1.0 Sn Sn15 1 0.60541564 0.60236819 0.24774484 1.0 As As16 1 0.00000000 0.00000000 0.50000000 1.0 As As17 1 0.00000000 0.00000000 0.00000000 1.0